3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid

C12H12N2O4 — CID 117264158

IUPAC3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
SMILESCOc1ccc2ncn(CCC(=O)O)c(=O)c2c1
InChIInChI=1S/C12H12N2O4/c1-18-8-2-3-10-9(6-8)12(17)14(7-13-10)5-4-11(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeySZNYXMXBJGXCJF-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.88
Rot. Bonds4

About 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid

3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 117264158) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
PubChem CID117264158
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
SMILESCOc1ccc2ncn(CCC(=O)O)c(=O)c2c1
InChIInChI=1S/C12H12N2O4/c1-18-8-2-3-10-9(6-8)12(17)14(7-13-10)5-4-11(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeySZNYXMXBJGXCJF-UHFFFAOYSA-N
XLogP0.88
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one
CID 131924703
3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264509
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 30285351
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid (CID 117264158) is 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid is COc1ccc2ncn(CCC(=O)O)c(=O)c2c1.
What is the InChIKey of 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is SZNYXMXBJGXCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-8-2-3-10-9(6-8)12(17)14(7-13-10)5-4-11(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid?
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid has a molecular weight of 248.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 117264158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).