3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid

C27H22N4O4 — CID 56597647

IUPAC3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESCCCn1c(C)nc2ccc(C(=O)c3nc(-c4cccc(C(=O)O)c4)c4ccccn34)cc2c1=O
InChIInChI=1S/C27H22N4O4/c1-3-12-30-16(2)28-21-11-10-18(15-20(21)26(30)33)24(32)25-29-23(22-9-4-5-13-31(22)25)17-7-6-8-19(14-17)27(34)35/h4-11,13-15H,3,12H2,1-2H3,(H,34,35)
InChIKeyBAOSZUDHRPGKKU-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.36
Rot. Bonds6

About 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid

3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid (PubChem CID 56597647) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
PubChem CID56597647
Molecular FormulaC27H22N4O4
Molecular Weight466.50 g/mol
Exact Mass466.16
IUPAC Name3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILESCCCn1c(C)nc2ccc(C(=O)c3nc(-c4cccc(C(=O)O)c4)c4ccccn34)cc2c1=O
InChIInChI=1S/C27H22N4O4/c1-3-12-30-16(2)28-21-11-10-18(15-20(21)26(30)33)24(32)25-29-23(22-9-4-5-13-31(22)25)17-7-6-8-19(14-17)27(34)35/h4-11,13-15H,3,12H2,1-2H3,(H,34,35)
InChIKeyBAOSZUDHRPGKKU-UHFFFAOYSA-N
XLogP4.36
TPSA106.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The IUPAC name of 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid (CID 56597647) is 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The canonical SMILES for 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid is CCCn1c(C)nc2ccc(C(=O)c3nc(-c4cccc(C(=O)O)c4)c4ccccn34)cc2c1=O.
What is the InChIKey of 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
The InChIKey is BAOSZUDHRPGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-3-12-30-16(2)28-21-11-10-18(15-20(21)26(30)33)24(32)25-29-23(22-9-4-5-13-31(22)25)17-7-6-8-19(14-17)27(34)35/h4-11,13-15H,3,12H2,1-2H3,(H,34,35).
What are the key properties of 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid?
3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid has a molecular weight of 466.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyl-4-oxo-3-propylquinazoline-6-carbonyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid is sourced from PubChem (CID 56597647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).