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

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Related Compounds

6-(imidazo[1,5-a]pyridine-3-carbonyl)-2-methyl-3-propylquinazolin-4-one
CID 141372884
3-[3-[3-[2-(4-fluorophenyl)ethyl]-1-methyl-2,4-dioxoquinazoline-6-carbonyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 71622401
3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 67216234
(4-methylphenyl)-(1-phenylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207391
methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
CID 163207395
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
phenyl-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207383
3-[5-chloro-2-[2-(2-methyl-4-oxopyrido[3,4-d]pyrimidin-3-yl)ethoxy]phenyl]benzoic acid
CID 164515250
2-amino-3-propylbenzimidazole-5-carboxylic acid
CID 84786648
2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 18681123
3-(6-bromo-3-methyl-2-pyridinyl)benzoic acid
CID 131988791
4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 121472971

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).