N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide

C17H13ClN2O — CID 2097108

IUPACN-[(2-chlorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c18-14-7-3-1-6-13(14)11-19-17(21)16-10-9-12-5-2-4-8-15(12)20-16/h1-10H,11H2,(H,19,21)
InChIKeyAPJGSRSTFAGFDY-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.82
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide

N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide (PubChem CID 2097108) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]quinoline-2-carboxamide
PubChem CID2097108
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-[(2-chlorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c18-14-7-3-1-6-13(14)11-19-17(21)16-10-9-12-5-2-4-8-15(12)20-16/h1-10H,11H2,(H,19,21)
InChIKeyAPJGSRSTFAGFDY-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
CID 1345
N-[(2r)-Butan-2-Yl]-1-(2-Chlorophenyl)-N-Methylisoquinoline-3-Carboxamide
CID 24839733
N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
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-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
1-[2-(2,4-dichlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801005

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide (CID 2097108) is N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide is O=C(NCc1ccccc1Cl)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide?
The InChIKey is APJGSRSTFAGFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-7-3-1-6-13(14)11-19-17(21)16-10-9-12-5-2-4-8-15(12)20-16/h1-10H,11H2,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide?
N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 2097108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).