6-chloro-2-methyl-6H-quinazolin-4-one

C9H7ClN2O — CID 76844836

IUPAC6-chloro-2-methyl-6H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(Cl)C=CC2=N1
InChIInChI=1S/C9H7ClN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,6H,1H3
InChIKeyCCJAYWRJZSZPTM-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.49
Rot. Bonds

About 6-chloro-2-methyl-6H-quinazolin-4-one

6-chloro-2-methyl-6H-quinazolin-4-one (PubChem CID 76844836) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 6-chloro-2-methyl-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-6H-quinazolin-4-one
PubChem CID76844836
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name6-chloro-2-methyl-6H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(Cl)C=CC2=N1
InChIInChI=1S/C9H7ClN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,6H,1H3
InChIKeyCCJAYWRJZSZPTM-UHFFFAOYSA-N
XLogP1.49
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-chloro-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73741546
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one
CID 76831073
7-chloro-6H-quinazolin-4-one
CID 91371041
6H-quinazolin-4-one
CID 165178648
6-chloro-6H-quinazolin-4-one
CID 71303944
2-Methylquinazoline-4,6-dione
CID 71303969
2,6-dichloro-6H-quinazolin-4-one
CID 72728722
7-Chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one
CID 73102954
2-Chloro-6-methylidenequinazolin-4-one
CID 73185632
6-bromo-2-chloro-6H-quinazolin-4-one
CID 73300429

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-6H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-methyl-6H-quinazolin-4-one (CID 76844836) is 6-chloro-2-methyl-6H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-6H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-methyl-6H-quinazolin-4-one is CC1=NC(=O)C2=CC(Cl)C=CC2=N1.
What is the InChIKey of 6-chloro-2-methyl-6H-quinazolin-4-one?
The InChIKey is CCJAYWRJZSZPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,6H,1H3.
What are the key properties of 6-chloro-2-methyl-6H-quinazolin-4-one?
6-chloro-2-methyl-6H-quinazolin-4-one has a molecular weight of 194.62 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-6H-quinazolin-4-one is sourced from PubChem (CID 76844836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).