8-chloro-6-methyl-4H-1,4-benzoxazin-3-one

C9H8ClNO2 — CID 84667909

IUPAC8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(Cl)c2c(c1)NC(=O)CO2
InChIInChI=1S/C9H8ClNO2/c1-5-2-6(10)9-7(3-5)11-8(12)4-13-9/h2-3H,4H2,1H3,(H,11,12)
InChIKeyWGWHJUMQDYOONM-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.98
Rot. Bonds

About 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one

8-chloro-6-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 84667909) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
PubChem CID84667909
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(Cl)c2c(c1)NC(=O)CO2
InChIInChI=1S/C9H8ClNO2/c1-5-2-6(10)9-7(3-5)11-8(12)4-13-9/h2-3H,4H2,1H3,(H,11,12)
InChIKeyWGWHJUMQDYOONM-UHFFFAOYSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dichloro-4H-1,4-benzoxazin-3-one
CID 50878739
8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine
CID 110729693
6-chloro-8-methoxy-4H-1,4-benzoxazin-3-one
CID 131059533
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
CID 110729691
methyl 6-chloro-7-hydroxy-3-oxo-4H-1,4-benzoxazine-8-carboxylate
CID 139653229
4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110729696
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744799
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
8-bromo-6-tert-butyl-4H-1,4-benzoxazin-3-one
CID 50878735
7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230635
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one (CID 84667909) is 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one is Cc1cc(Cl)c2c(c1)NC(=O)CO2.
What is the InChIKey of 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is WGWHJUMQDYOONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-5-2-6(10)9-7(3-5)11-8(12)4-13-9/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one?
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 197.62 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 84667909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).