3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid

C12H12N2O3 — CID 137289722

IUPAC3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid
SMILESCc1cccc2nc(CCC(=O)O)[nH]c(=O)c12
InChIInChI=1S/C12H12N2O3/c1-7-3-2-4-8-11(7)12(17)14-9(13-8)5-6-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyRVRYNFZDJZQCDE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.25
Rot. Bonds3

About 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid

3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid (PubChem CID 137289722) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid
PubChem CID137289722
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid
SMILESCc1cccc2nc(CCC(=O)O)[nH]c(=O)c12
InChIInChI=1S/C12H12N2O3/c1-7-3-2-4-8-11(7)12(17)14-9(13-8)5-6-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyRVRYNFZDJZQCDE-UHFFFAOYSA-N
XLogP1.25
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylphenyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809791
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
3-[5-methyl-4-(2-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 82478385
2-butyl-5-fluoro-3H-quinazolin-4-one
CID 137190136
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
5-bromo-2-pentyl-3H-quinazolin-4-one
CID 150394937
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831766
3-(2-benzyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 135973619
3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
CID 13042082
3-(5-cyclopropyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)propanoic acid
CID 64918600
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid (CID 137289722) is 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid is Cc1cccc2nc(CCC(=O)O)[nH]c(=O)c12.
What is the InChIKey of 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid?
The InChIKey is RVRYNFZDJZQCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-3-2-4-8-11(7)12(17)14-9(13-8)5-6-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid?
3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid is sourced from PubChem (CID 137289722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).