6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one

C9H8ClNO2 — CID 166066797

IUPAC6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCC1OC(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C9H8ClNO2/c1-5-7-4-6(10)2-3-8(7)11-9(12)13-5/h2-5H,1H3,(H,11,12)
InChIKeyQTPCKMGSKIPLHY-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.96
Rot. Bonds

About 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one

6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 166066797) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID166066797
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCC1OC(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C9H8ClNO2/c1-5-7-4-6(10)2-3-8(7)11-9(12)13-5/h2-5H,1H3,(H,11,12)
InChIKeyQTPCKMGSKIPLHY-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-chloro-3-methyl-3H-2-benzofuran-1-one
CID 168984484
tert-butyl 4-(6-chloro-2-oxo-1,4-dihydro-3,1-benzoxazin-4-yl)piperidine-1-carboxylate
CID 58793946
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
5-chloro-3-[1-(5-methylfuran-2-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43684964
(10R,11R,11aS)-2,10-dichloro-11-methyl-5,8,9,10,11,11a-hexahydropyrido[1,2-c]quinazolin-6-one
CID 10968067
6-chloro-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
CID 117193853
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43098124
5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole
CID 163580754
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
4-methyl-1,4-dihydro-3,1-benzoxazin-2-one;4-methyl-1-propyl-4H-3,1-benzoxazin-2-one
CID 159171137
5-chloro-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 11609827

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one (CID 166066797) is 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one is CC1OC(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is QTPCKMGSKIPLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-5-7-4-6(10)2-3-8(7)11-9(12)13-5/h2-5H,1H3,(H,11,12).
What are the key properties of 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one?
6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 197.62 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 166066797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).