2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide

C13H13ClN2O — CID 110490467

IUPAC2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C13H13ClN2O/c1-16(2)13(17)8-11-5-3-9-7-10(14)4-6-12(9)15-11/h3-7H,8H2,1-2H3
InChIKeyUTWGQHHXFFJNKO-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.52
Rot. Bonds2

About 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide

2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide (PubChem CID 110490467) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide
PubChem CID110490467
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C13H13ClN2O/c1-16(2)13(17)8-11-5-3-9-7-10(14)4-6-12(9)15-11/h3-7H,8H2,1-2H3
InChIKeyUTWGQHHXFFJNKO-UHFFFAOYSA-N
XLogP2.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
CID 82244797
6-chloro-2-(fluoromethyl)quinoline
CID 162400997
3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol
CID 77080268
(2S)-3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol
CID 99928103
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide
CID 110490287
1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
CID 82243491
2-(6-aminoquinolin-2-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 110451337
N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 91774737
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone
CID 19767903
4-amino-N-[(6-chloroquinolin-2-yl)methyl]cyclohexane-1-carboxamide
CID 166158842

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide (CID 110490467) is 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc2cc(Cl)ccc2n1.
What is the InChIKey of 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide?
The InChIKey is UTWGQHHXFFJNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-16(2)13(17)8-11-5-3-9-7-10(14)4-6-12(9)15-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide?
2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide has a molecular weight of 248.71 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 110490467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).