3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one

C12H10ClNO2 — CID 46398194

IUPAC3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
SMILESCC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O
InChIInChI=1S/C12H10ClNO2/c1-6-10(13)4-3-8-11(6)14-5-9(7(2)15)12(8)16/h3-5H,1-2H3,(H,14,16)
InChIKeyMKDCLHGOSHVTGZ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.69
Rot. Bonds1

About 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one

3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one (PubChem CID 46398194) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
PubChem CID46398194
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
SMILESCC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O
InChIInChI=1S/C12H10ClNO2/c1-6-10(13)4-3-8-11(6)14-5-9(7(2)15)12(8)16/h3-5H,1-2H3,(H,14,16)
InChIKeyMKDCLHGOSHVTGZ-UHFFFAOYSA-N
XLogP2.69
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(6-chloro-7-methyl-1H-indol-3-yl)-2-oxoacetate
CID 84742082
7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43860282
7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one
CID 43860284
7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide
CID 43860319
8-bromo-7-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 103481174
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
CID 82494396
1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
CID 154727190
3-acetyl-6,7,8-trifluoro-1H-quinolin-4-one
CID 59457959
3-acetyl-8-methoxy-1H-quinolin-4-one;1-(4-chloro-8-methoxyquinolin-3-yl)ethanone
CID 158708197
1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 133058495
8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121237264
N-(7-chloro-2,8-dimethylquinolin-4-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 43860381

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one (CID 46398194) is 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one is CC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O.
What is the InChIKey of 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one?
The InChIKey is MKDCLHGOSHVTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-6-10(13)4-3-8-11(6)14-5-9(7(2)15)12(8)16/h3-5H,1-2H3,(H,14,16).
What are the key properties of 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one?
3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one has a molecular weight of 235.67 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 46398194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).