2-(2-methyl-4-oxoquinazolin-3-yl)acetate

C11H9N2O3- — CID 6971388

IUPAC2-(2-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1nc2ccccc2c(=O)n1CC(=O)[O-]
InChIInChI=1S/C11H10N2O3/c1-7-12-9-5-3-2-4-8(9)11(16)13(7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)/p-1
InChIKeyNIRPYXSTQBPOLJ-UHFFFAOYSA-M
MW217.20 g/mol
LogP-0.55
Rot. Bonds2

About 2-(2-methyl-4-oxoquinazolin-3-yl)acetate

2-(2-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 6971388) has the molecular formula C11H9N2O3- and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-(2-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name2-(2-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID6971388
Molecular FormulaC11H9N2O3-
Molecular Weight217.20 g/mol
Exact Mass217.06
IUPAC Name2-(2-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1nc2ccccc2c(=O)n1CC(=O)[O-]
InChIInChI=1S/C11H10N2O3/c1-7-12-9-5-3-2-4-8(9)11(16)13(7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)/p-1
InChIKeyNIRPYXSTQBPOLJ-UHFFFAOYSA-M
XLogP-0.55
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-4-oxoquinazolin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid
CID 21004528
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 96543678
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
1-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 3038441
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55379148
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499
N-benzyl-N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17448524

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)acetate (CID 6971388) is 2-(2-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for 2-(2-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for 2-(2-methyl-4-oxoquinazolin-3-yl)acetate is Cc1nc2ccccc2c(=O)n1CC(=O)[O-].
What is the InChIKey of 2-(2-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is NIRPYXSTQBPOLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O3/c1-7-12-9-5-3-2-4-8(9)11(16)13(7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)/p-1.
What are the key properties of 2-(2-methyl-4-oxoquinazolin-3-yl)acetate?
2-(2-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 217.20 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 6971388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).