2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid

C13H16N2O4 — CID 12669789

IUPAC2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid
SMILESCN1c2ccccc2C(=O)N(CCO)C1CC(=O)O
InChIInChI=1S/C13H16N2O4/c1-14-10-5-3-2-4-9(10)13(19)15(6-7-16)11(14)8-12(17)18/h2-5,11,16H,6-8H2,1H3,(H,17,18)
InChIKeyQEMKHJMSIPEQON-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.37
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid

2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid (PubChem CID 12669789) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid
PubChem CID12669789
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid
SMILESCN1c2ccccc2C(=O)N(CCO)C1CC(=O)O
InChIInChI=1S/C13H16N2O4/c1-14-10-5-3-2-4-9(10)13(19)15(6-7-16)11(14)8-12(17)18/h2-5,11,16H,6-8H2,1H3,(H,17,18)
InChIKeyQEMKHJMSIPEQON-UHFFFAOYSA-N
XLogP0.37
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]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-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid?
The IUPAC name of 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid (CID 12669789) is 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid is CN1c2ccccc2C(=O)N(CCO)C1CC(=O)O.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid?
The InChIKey is QEMKHJMSIPEQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-14-10-5-3-2-4-9(10)13(19)15(6-7-16)11(14)8-12(17)18/h2-5,11,16H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid?
2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-1-methyl-4-oxo-2H-quinazolin-2-yl]acetic acid is sourced from PubChem (CID 12669789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).