N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane

C23H25ClN2O2 — CID 142006209

IUPACN-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
SMILESCC.Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C1CC1
InChIInChI=1S/C21H19ClN2O2.C2H6/c1-13-2-9-19-17(10-13)20(25)18(12-24(19)16-7-8-16)21(26)23-11-14-3-5-15(22)6-4-14;1-2/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,26);1-2H3
InChIKeyCNWHFNFSEWMCPF-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.25
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane

N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane (PubChem CID 142006209) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
PubChem CID142006209
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
SMILESCC.Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C1CC1
InChIInChI=1S/C21H19ClN2O2.C2H6/c1-13-2-9-19-17(10-13)20(25)18(12-24(19)16-7-8-16)21(26)23-11-14-3-5-15(22)6-4-14;1-2/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,26);1-2H3
InChIKeyCNWHFNFSEWMCPF-UHFFFAOYSA-N
XLogP5.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;3-[3-[(4-chlorophenyl)methylcarbamoyl]-1-cyclopropyl-4-oxoquinolin-6-yl]prop-2-ynyl 7-oxooctanoate;hydride
CID 173221747
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-6-(thiomorpholin-4-ylmethyl)quinoline-3-carboxamide
CID 15516934
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048
6-bromo-N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-8H-1,7-naphthyridin-8-ide-3-carboxamide;yttrium
CID 59061940
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
CID 99581512
1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
CID 115028386
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 22498719
N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 10095695
2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-10-carboxamide;ethane
CID 91070900

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane (CID 142006209) is N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane is CC.Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane?
The InChIKey is CNWHFNFSEWMCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2.C2H6/c1-13-2-9-19-17(10-13)20(25)18(12-24(19)16-7-8-16)21(26)23-11-14-3-5-15(22)6-4-14;1-2/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,26);1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane?
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane has a molecular weight of 396.92 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane is sourced from PubChem (CID 142006209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).