1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone

C13H12ClNO — CID 82576214

IUPAC1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone
SMILESCC(=O)c1cc(C)c2c(Cl)ccc(C)c2n1
InChIInChI=1S/C13H12ClNO/c1-7-4-5-10(14)12-8(2)6-11(9(3)16)15-13(7)12/h4-6H,1-3H3
InChIKeyNWWSNCHKRUKOHX-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.71
Rot. Bonds1

About 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone

1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone (PubChem CID 82576214) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone
PubChem CID82576214
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone
SMILESCC(=O)c1cc(C)c2c(Cl)ccc(C)c2n1
InChIInChI=1S/C13H12ClNO/c1-7-4-5-10(14)12-8(2)6-11(9(3)16)15-13(7)12/h4-6H,1-3H3
InChIKeyNWWSNCHKRUKOHX-UHFFFAOYSA-N
XLogP3.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-8-methyl-2-(trichloromethyl)quinoline
CID 23313791
2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575558
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576607
5-chloro-2,8-dimethylquinoline-4-carbaldehyde
CID 82573852
1,8-dichloro-5-methylisoquinoline-3-carboxylic acid
CID 114517741
4,5-dichloro-8-methyl-2-propan-2-ylquinoline
CID 43668547
3-(5,8-dichloro-4-methylquinolin-2-yl)propanamide
CID 82578414
2,5-dichloro-3-ethyl-8-methylquinazolin-4-one
CID 114693017
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315
5-chloro-2,8-dimethylquinoline-4-carbonitrile
CID 82573298

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone?
The IUPAC name of 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone (CID 82576214) is 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone?
The canonical SMILES for 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone is CC(=O)c1cc(C)c2c(Cl)ccc(C)c2n1.
What is the InChIKey of 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone?
The InChIKey is NWWSNCHKRUKOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-7-4-5-10(14)12-8(2)6-11(9(3)16)15-13(7)12/h4-6H,1-3H3.
What are the key properties of 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone?
1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone has a molecular weight of 233.70 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4,8-dimethylquinolin-2-yl)ethanone is sourced from PubChem (CID 82576214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).