Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2156
- Core Entity Id
- 5585
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-4(3h)-quinazolinone
- Name En
- Pubchem Id
- 135400457
- Smiles Canonical
- CC1=NC2=CC=CC=C2C(=O)N1
- Molecular Formula
- C9H8N2O
- Molecular Weight
- 160.1760
- Inchikey
- FIEYHAAMDAPVCH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
- Isomeric Smiles
- CC1=NC2=CC=CC=C2C(=O)N1
- Cas Id
- Ob Score
- Mol Logp
- 1.2315
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-methyl-4(3H)-quinazolinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyl-4(3h)-quinazolinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methyl-4(3h)-quinazolinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
132305-21-6
Role
alias
Source
HERB_v2
Preferred
No
Name
132305-21-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
1769-24-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
1769-24-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-3H-quinazolin-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-3H-quinazolin-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-4-quinazolinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-4-quinazolinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methylquinazolin-4(1H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methylquinazolin-4(1H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methyl-1H-quinazolin-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methyl-1H-quinazolin-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylquinazolin-4(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylquinazolin-4(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methylquinazolin-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylquinazolin-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4(3H)-QUINAZOLINONE, 2-METHYL-
Role
alias
Source
HERB_v2
Preferred
No
Name
4(3H)-QUINAZOLINONE, 2-METHYL-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
132305-21-61769-24-02-Methyl-3H-quinazolin-4-one2-Methyl-4-quinazolinone2-Methylquinazolin-4(1H)-one2-methyl-1H-quinazolin-4-one2-methylquinazolin-4(3H)-one2-methylquinazolin-4-ol4(3H)-QUINAZOLINONE, 2-METHYL-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005975
Tcmid
33395
Pub Chem
135400457
Tcmbank
TCMBANKIN005022
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
Mol Wt
160.176
Smiles
CC1=NC2=CC=CC=C2C(=O)N1
Mol Log P
1.23152
In Ch Ikey
FIEYHAAMDAPVCH-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.63
Num Hacceptors
2
Isomeric Smiles
CC1=NC2=CC=CC=C2C(=O)N1
Canonical Smiles
CC1=NC2=CC=CC=C2C(=O)N1
Herb Alias Names
2-methylquinazolin-4-ol1769-24-0132305-21-62-methylquinazolin-4(3H)-one2-Methyl-3H-quinazolin-4-one2-methyl-1H-quinazolin-4-one2-Methylquinazolin-4(1H)-one2-Methyl-4-quinazolinone4(3H)-QUINAZOLINONE, 2-METHYL-
Molecular Weight
160.17 g/mol
Molecular Formula
C9H8N2O
Molecular Formula
C9H8N2O
Num Rotatable Bonds
0