2-(4-oxoquinazolin-3-yl)butanoic acid

C12H12N2O3 — CID 4736742

IUPAC2-(4-oxoquinazolin-3-yl)butanoic acid
SMILESCCC(C(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C12H12N2O3/c1-2-10(12(16)17)14-7-13-9-6-4-3-5-8(9)11(14)15/h3-7,10H,2H2,1H3,(H,16,17)
InChIKeyCVIZXZUKXBPCJK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.43
Rot. Bonds3

About 2-(4-oxoquinazolin-3-yl)butanoic acid

2-(4-oxoquinazolin-3-yl)butanoic acid (PubChem CID 4736742) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)butanoic acid
PubChem CID4736742
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(4-oxoquinazolin-3-yl)butanoic acid
SMILESCCC(C(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C12H12N2O3/c1-2-10(12(16)17)14-7-13-9-6-4-3-5-8(9)11(14)15/h3-7,10H,2H2,1H3,(H,16,17)
InChIKeyCVIZXZUKXBPCJK-UHFFFAOYSA-N
XLogP1.43
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)butanoic acid?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)butanoic acid (CID 4736742) is 2-(4-oxoquinazolin-3-yl)butanoic acid.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)butanoic acid?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)butanoic acid is CCC(C(=O)O)n1cnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)butanoic acid?
The InChIKey is CVIZXZUKXBPCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-10(12(16)17)14-7-13-9-6-4-3-5-8(9)11(14)15/h3-7,10H,2H2,1H3,(H,16,17).
What are the key properties of 2-(4-oxoquinazolin-3-yl)butanoic acid?
2-(4-oxoquinazolin-3-yl)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)butanoic acid is sourced from PubChem (CID 4736742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).