1-(6-chloro-4-methylquinolin-3-yl)ethanone

C12H10ClNO — CID 175943366

IUPAC1-(6-chloro-4-methylquinolin-3-yl)ethanone
SMILESCC(=O)c1cnc2ccc(Cl)cc2c1C
InChIInChI=1S/C12H10ClNO/c1-7-10-5-9(13)3-4-12(10)14-6-11(7)8(2)15/h3-6H,1-2H3
InChIKeyVVRBPNGKGIDTJD-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.40
Rot. Bonds1

About 1-(6-chloro-4-methylquinolin-3-yl)ethanone

1-(6-chloro-4-methylquinolin-3-yl)ethanone (PubChem CID 175943366) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-(6-chloro-4-methylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-4-methylquinolin-3-yl)ethanone
PubChem CID175943366
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name1-(6-chloro-4-methylquinolin-3-yl)ethanone
SMILESCC(=O)c1cnc2ccc(Cl)cc2c1C
InChIInChI=1S/C12H10ClNO/c1-7-10-5-9(13)3-4-12(10)14-6-11(7)8(2)15/h3-6H,1-2H3
InChIKeyVVRBPNGKGIDTJD-UHFFFAOYSA-N
XLogP3.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloroquinoline-3-carboxamide
CID 19827987
ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
CID 169258410
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
N-(6-chloro-4-phenylquinolin-3-yl)acetamide
CID 10424681
ethyl 6-chloro-3-fluoroquinoline-4-carboxylate
CID 164533136
ethyl 6-chloro-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
CID 17016638
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
(6-chloro-4-phenylquinolin-3-yl) acetate
CID 174381522
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
[6-chloro-4-(3,5-dimethylphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 71686414
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methylquinolin-3-yl)ethanone?
The IUPAC name of 1-(6-chloro-4-methylquinolin-3-yl)ethanone (CID 175943366) is 1-(6-chloro-4-methylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-4-methylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(6-chloro-4-methylquinolin-3-yl)ethanone is CC(=O)c1cnc2ccc(Cl)cc2c1C.
What is the InChIKey of 1-(6-chloro-4-methylquinolin-3-yl)ethanone?
The InChIKey is VVRBPNGKGIDTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-7-10-5-9(13)3-4-12(10)14-6-11(7)8(2)15/h3-6H,1-2H3.
What are the key properties of 1-(6-chloro-4-methylquinolin-3-yl)ethanone?
1-(6-chloro-4-methylquinolin-3-yl)ethanone has a molecular weight of 219.67 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methylquinolin-3-yl)ethanone is sourced from PubChem (CID 175943366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).