2-chloro-4-methylquinazoline

C9H7ClN2 — CID 15269580

IUPAC2-chloro-4-methylquinazoline
SMILESCc1nc(Cl)nc2ccccc12
InChIInChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3
InChIKeyIBWHRWJEIRPDJQ-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.59
Rot. Bonds

About 2-chloro-4-methylquinazoline

2-chloro-4-methylquinazoline (PubChem CID 15269580) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloro-4-methylquinazoline.

Molecular Properties

Compound Name2-chloro-4-methylquinazoline
PubChem CID15269580
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name2-chloro-4-methylquinazoline
SMILESCc1nc(Cl)nc2ccccc12
InChIInChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3
InChIKeyIBWHRWJEIRPDJQ-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-methylquinazoline 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-chloro-4-methylquinazoline?
The IUPAC name of 2-chloro-4-methylquinazoline (CID 15269580) is 2-chloro-4-methylquinazoline.
What is the SMILES notation for 2-chloro-4-methylquinazoline?
The canonical SMILES for 2-chloro-4-methylquinazoline is Cc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-methylquinazoline?
The InChIKey is IBWHRWJEIRPDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3.
What are the key properties of 2-chloro-4-methylquinazoline?
2-chloro-4-methylquinazoline has a molecular weight of 178.62 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylquinazoline is sourced from PubChem (CID 15269580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).