2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide

C12H13N3O2 — CID 123402793

IUPAC2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide
SMILESCc1nc2ccc(CC(N)=O)cc2c(=O)n1C
InChIInChI=1S/C12H13N3O2/c1-7-14-10-4-3-8(6-11(13)16)5-9(10)12(17)15(7)2/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKeyOTXAOZHWXKDJRW-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.27
Rot. Bonds2

About 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide

2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide (PubChem CID 123402793) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide
PubChem CID123402793
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide
SMILESCc1nc2ccc(CC(N)=O)cc2c(=O)n1C
InChIInChI=1S/C12H13N3O2/c1-7-14-10-4-3-8(6-11(13)16)5-9(10)12(17)15(7)2/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKeyOTXAOZHWXKDJRW-UHFFFAOYSA-N
XLogP0.27
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide 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-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide (CID 123402793) is 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide is Cc1nc2ccc(CC(N)=O)cc2c(=O)n1C.
What is the InChIKey of 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide?
The InChIKey is OTXAOZHWXKDJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-14-10-4-3-8(6-11(13)16)5-9(10)12(17)15(7)2/h3-5H,6H2,1-2H3,(H2,13,16).
What are the key properties of 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide?
2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-oxoquinazolin-6-yl)acetamide is sourced from PubChem (CID 123402793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).