2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide

C23H24ClN3O2 — CID 31369493

IUPAC2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C23H24ClN3O2/c1-4-27(5-2)22(28)15-26(3)23(29)18-14-21(17-11-6-8-12-19(17)24)25-20-13-9-7-10-16(18)20/h6-14H,4-5,15H2,1-3H3
InChIKeyCADICIJNGBQMOU-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.50
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide

2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide (PubChem CID 31369493) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
PubChem CID31369493
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C23H24ClN3O2/c1-4-27(5-2)22(28)15-26(3)23(29)18-14-21(17-11-6-8-12-19(17)24)25-20-13-9-7-10-16(18)20/h6-14H,4-5,15H2,1-3H3
InChIKeyCADICIJNGBQMOU-UHFFFAOYSA-N
XLogP4.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2092168
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
CID 16553720
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7933434
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-amino-N-ethyl-N-methylquinoline-4-carboxamide
CID 62154590
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide (CID 31369493) is 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
The InChIKey is CADICIJNGBQMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-4-27(5-2)22(28)15-26(3)23(29)18-14-21(17-11-6-8-12-19(17)24)25-20-13-9-7-10-16(18)20/h6-14H,4-5,15H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 31369493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).