4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one

C9H9ClN2O — CID 55263448

IUPAC4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one
SMILESCc1nc(Cl)c2c(n1)CCC(=O)C2
InChIInChI=1S/C9H9ClN2O/c1-5-11-8-3-2-6(13)4-7(8)9(10)12-5/h2-4H2,1H3
InChIKeyPQEIAONFSQWRJP-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.50
Rot. Bonds

About 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one

4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one (PubChem CID 55263448) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one.

Molecular Properties

Compound Name4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one
PubChem CID55263448
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one
SMILESCc1nc(Cl)c2c(n1)CCC(=O)C2
InChIInChI=1S/C9H9ClN2O/c1-5-11-8-3-2-6(13)4-7(8)9(10)12-5/h2-4H2,1H3
InChIKeyPQEIAONFSQWRJP-UHFFFAOYSA-N
XLogP1.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one 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 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one?
The IUPAC name of 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one (CID 55263448) is 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one.
What is the SMILES notation for 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one?
The canonical SMILES for 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one is Cc1nc(Cl)c2c(n1)CCC(=O)C2.
What is the InChIKey of 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one?
The InChIKey is PQEIAONFSQWRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-5-11-8-3-2-6(13)4-7(8)9(10)12-5/h2-4H2,1H3.
What are the key properties of 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one?
4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one has a molecular weight of 196.64 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-7,8-dihydro-5H-quinazolin-6-one is sourced from PubChem (CID 55263448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).