N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

C18H17ClN2O2 — CID 110703047

IUPACN-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(C)c3ccccc32)cc1Cl
InChIInChI=1S/C18H17ClN2O2/c1-11-7-8-12(9-15(11)19)20-18(23)14-10-17(22)21(2)16-6-4-3-5-13(14)16/h3-9,14H,10H2,1-2H3,(H,20,23)
InChIKeyZHMFPGQBCODXSD-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.74
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (PubChem CID 110703047) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
PubChem CID110703047
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(C)c3ccccc32)cc1Cl
InChIInChI=1S/C18H17ClN2O2/c1-11-7-8-12(9-15(11)19)20-18(23)14-10-17(22)21(2)16-6-4-3-5-13(14)16/h3-9,14H,10H2,1-2H3,(H,20,23)
InChIKeyZHMFPGQBCODXSD-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703069
1-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703022
N-(3-chloro-4-methylphenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4061211
(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527090
N-(2-carbamoylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703065
N-[2-(dimethylamino)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110702966
11-methyl-N-(4-methylphenyl)-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 4197491
1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide
CID 146139808
1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152
2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3352123
N-[1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 75459992
(4R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 33277293

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (CID 110703047) is N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(C)c3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is ZHMFPGQBCODXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-7-8-12(9-15(11)19)20-18(23)14-10-17(22)21(2)16-6-4-3-5-13(14)16/h3-9,14H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 110703047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).