1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone

C12H9Cl2NO — CID 139937864

IUPAC1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C12H9Cl2NO/c1-6-11(7(2)16)12(14)9-5-8(13)3-4-10(9)15-6/h3-5H,1-2H3
InChIKeyKNIXKUUCHOGGIQ-UHFFFAOYSA-N
MW254.12 g/mol
LogP4.05
Rot. Bonds1

About 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone

1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone (PubChem CID 139937864) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
PubChem CID139937864
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C12H9Cl2NO/c1-6-11(7(2)16)12(14)9-5-8(13)3-4-10(9)15-6/h3-5H,1-2H3
InChIKeyKNIXKUUCHOGGIQ-UHFFFAOYSA-N
XLogP4.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
6-chloro-4-methylquinazoline-2-carboxylic acid
CID 84788769
3,6-dichloro-2-methylquinolin-4-amine
CID 121236621
6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
CID 8966744
6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 4787383
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
CID 2736409
1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone
CID 146169361
1-(6-chloro-4-methylquinolin-3-yl)ethanone
CID 175943366
N-(2,6-dichloroquinazolin-4-yl)acetamide
CID 133062371
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone?
The IUPAC name of 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone (CID 139937864) is 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone is CC(=O)c1c(C)nc2ccc(Cl)cc2c1Cl.
What is the InChIKey of 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone?
The InChIKey is KNIXKUUCHOGGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c1-6-11(7(2)16)12(14)9-5-8(13)3-4-10(9)15-6/h3-5H,1-2H3.
What are the key properties of 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone?
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone has a molecular weight of 254.12 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone is sourced from PubChem (CID 139937864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).