8-chloro-2-methyl-8H-quinazolin-4-one

C9H7ClN2O — CID 74502710

IUPAC8-chloro-2-methyl-8H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC=CC(Cl)C2=N1
InChIInChI=1S/C9H7ClN2O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4,7H,1H3
InChIKeyJEOJADWRRAXMNQ-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.49
Rot. Bonds

About 8-chloro-2-methyl-8H-quinazolin-4-one

8-chloro-2-methyl-8H-quinazolin-4-one (PubChem CID 74502710) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 8-chloro-2-methyl-8H-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-8H-quinazolin-4-one
PubChem CID74502710
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name8-chloro-2-methyl-8H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC=CC(Cl)C2=N1
InChIInChI=1S/C9H7ClN2O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4,7H,1H3
InChIKeyJEOJADWRRAXMNQ-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

6-chloro-8H-quinazolin-4-one
CID 91196558
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
6,8-dichloro-8H-quinazolin-4-one
CID 76844818
6-chloro-2-methyl-6H-quinazolin-4-one
CID 76844836
2-(Chloromethyl)-8-methylidenequinazolin-4-one
CID 78371905
8-chloro-8H-quinazolin-4-one
CID 85287723
4(3H)-Quinazolinone, 6-chloro-2-ethyl-
CID 85440027
2-Chloro-8-methylidenequinazolin-4-one
CID 85483837
8-chloro-8H-1,2,3-benzotriazin-4-one
CID 85702016
6,8-dichloro-2-methyl-8H-quinazolin-4-one
CID 85789253

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-8H-quinazolin-4-one?
The IUPAC name of 8-chloro-2-methyl-8H-quinazolin-4-one (CID 74502710) is 8-chloro-2-methyl-8H-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-methyl-8H-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-methyl-8H-quinazolin-4-one is CC1=NC(=O)C2=CC=CC(Cl)C2=N1.
What is the InChIKey of 8-chloro-2-methyl-8H-quinazolin-4-one?
The InChIKey is JEOJADWRRAXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-11-8-6(9(13)12-5)3-2-4-7(8)10/h2-4,7H,1H3.
What are the key properties of 8-chloro-2-methyl-8H-quinazolin-4-one?
8-chloro-2-methyl-8H-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 8-chloro-2-methyl-8H-quinazolin-4-one is sourced from PubChem (CID 74502710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).