6-chloro-N,N-dimethylquinoline-2-carboxamide

C12H11ClN2O — CID 162412959

IUPAC6-chloro-N,N-dimethylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C12H11ClN2O/c1-15(2)12(16)11-5-3-8-7-9(13)4-6-10(8)14-11/h3-7H,1-2H3
InChIKeyKQWNLULHLLYZGT-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.59
Rot. Bonds1

About 6-chloro-N,N-dimethylquinoline-2-carboxamide

6-chloro-N,N-dimethylquinoline-2-carboxamide (PubChem CID 162412959) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-chloro-N,N-dimethylquinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-dimethylquinoline-2-carboxamide
PubChem CID162412959
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name6-chloro-N,N-dimethylquinoline-2-carboxamide
SMILESCN(C)C(=O)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C12H11ClN2O/c1-15(2)12(16)11-5-3-8-7-9(13)4-6-10(8)14-11/h3-7H,1-2H3
InChIKeyKQWNLULHLLYZGT-UHFFFAOYSA-N
XLogP2.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
CID 1345
Jnj-7777120
CID 4908365
N-[(2r)-Butan-2-Yl]-1-(2-Chlorophenyl)-N-Methylisoquinoline-3-Carboxamide
CID 24839733
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
N-(2-Chloroethyl)-2-quinolinecarboxamide
CID 2305179
2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide C-11
CID 450825
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
CID 6603767
N-methyl N-phenylmethyl 1-(2-chloro phenyl) isoquinoline 3-carboxamide
CID 13272371
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-(111C)methylisoquinoline-3-carboxamide
CID 13272374
5-chloro-2-(piperidine-1-carbonyl)-1H-indole
CID 3939214
(5-chloro-1H-indol-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 4975679

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethylquinoline-2-carboxamide?
The IUPAC name of 6-chloro-N,N-dimethylquinoline-2-carboxamide (CID 162412959) is 6-chloro-N,N-dimethylquinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N,N-dimethylquinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N,N-dimethylquinoline-2-carboxamide is CN(C)C(=O)c1ccc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N,N-dimethylquinoline-2-carboxamide?
The InChIKey is KQWNLULHLLYZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-15(2)12(16)11-5-3-8-7-9(13)4-6-10(8)14-11/h3-7H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethylquinoline-2-carboxamide?
6-chloro-N,N-dimethylquinoline-2-carboxamide has a molecular weight of 234.69 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethylquinoline-2-carboxamide is sourced from PubChem (CID 162412959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).