ITCMDBv1
IngredientID 37873

1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylicacid

C12H12N2O2

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
37873
Core Entity Id
59918
Source Entity Count
1
Preferred Name
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylicacid
Name En
Pubchem Id
10965928
Smiles Canonical
C1CC2=NC3=CC=CC=C3CN2C1C(=O)O
Molecular Formula
C12H12N2O2
Molecular Weight
216.2400
Inchikey
GZQYCHREXLDRDI-UHFFFAOYSA-N
Inchi
InChI=1S/C12H12N2O2/c15-12(16)10-5-6-11-13-9-4-2-1-3-8(9)7-14(10)11/h1-4,10H,5-7H2,(H,15,16)
Isomeric Smiles
C1CC2=NC3=CC=CC=C3CN2C1C(=O)O
Cas Id
Ob Score
Mol Logp
1.7792
Num H Donors
1
Num H Acceptors
3
Num Rotatable Bonds
1
Drug Likeness
0.7780
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN000612
Tcmid
21063
Pub Chem
10965928
Tcmbank
TCMBANKIN005201

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C12H12N2O2/c15-12(16)10-5-6-11-13-9-4-2-1-3-8(9)7-14(10)11/h1-4,10H,5-7H2,(H,15,16)
Mol Wt
216.24
Smiles
C1CC2=NC3=CC=CC=C3CN2C1C(=O)O
Mol Log P
1.7792
In Ch Ikey
GZQYCHREXLDRDI-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.778
Num Hacceptors
3
Isomeric Smiles
C1CC2=NC3=CC=CC=C3CN2C1C(=O)O
Canonical Smiles
C1CC2=NC3=CC=CC=C3CN2C1C(=O)O
Herb Alias Names
1,2,3,9-tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid
Molecular Weight
216.24 g/mol
Molecular Formula
C12H12N2O2
Molecular Formula
C12H12N2O2
Num Rotatable Bonds
1