N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide

C23H23ClN2O2 — CID 166265825

IUPACN-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCCCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H23ClN2O2/c24-17-8-6-7-16(13-17)23(11-4-1-5-12-23)15-25-22(28)19-14-21(27)26-20-10-3-2-9-18(19)20/h2-3,6-10,13-14H,1,4-5,11-12,15H2,(H,25,28)(H,26,27)
InChIKeyOZAVEQYIUYBXRJ-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.81
Rot. Bonds4

About N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide

N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 166265825) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID166265825
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCCCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H23ClN2O2/c24-17-8-6-7-16(13-17)23(11-4-1-5-12-23)15-25-22(28)19-14-21(27)26-20-10-3-2-9-18(19)20/h2-3,6-10,13-14H,1,4-5,11-12,15H2,(H,25,28)(H,26,27)
InChIKeyOZAVEQYIUYBXRJ-UHFFFAOYSA-N
XLogP4.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167855135
N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119404378
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71753557
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 62517694
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide
CID 119749852
1-methyl-2-oxo-N-[(1-phenylcyclopentyl)methyl]quinoline-4-carboxamide
CID 55759441
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 166265825) is N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NCC1(c2cccc(Cl)c2)CCCCC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is OZAVEQYIUYBXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c24-17-8-6-7-16(13-17)23(11-4-1-5-12-23)15-25-22(28)19-14-21(27)26-20-10-3-2-9-18(19)20/h2-3,6-10,13-14H,1,4-5,11-12,15H2,(H,25,28)(H,26,27).
What are the key properties of N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 394.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 166265825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).