2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid

C12H12N2O4 — CID 61394536

IUPAC2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
SMILESCn1c(COCC(=O)O)nc2ccccc2c1=O
InChIInChI=1S/C12H12N2O4/c1-14-10(6-18-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyIEABVIJMTJPZQH-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.53
Rot. Bonds4

About 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid

2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid (PubChem CID 61394536) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
PubChem CID61394536
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
SMILESCn1c(COCC(=O)O)nc2ccccc2c1=O
InChIInChI=1S/C12H12N2O4/c1-14-10(6-18-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyIEABVIJMTJPZQH-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic 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 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid (CID 61394536) is 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid is Cn1c(COCC(=O)O)nc2ccccc2c1=O.
What is the InChIKey of 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid?
The InChIKey is IEABVIJMTJPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-14-10(6-18-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid?
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid is sourced from PubChem (CID 61394536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).