N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide

C24H26ClN3O — CID 46091008

IUPACN-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide
SMILESCN(c1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc2n1)C1CCCCC1
InChIInChI=1S/C24H26ClN3O/c1-28(19-10-3-2-4-11-19)23-15-21(20-12-5-6-13-22(20)27-23)24(29)26-16-17-8-7-9-18(25)14-17/h5-9,12-15,19H,2-4,10-11,16H2,1H3,(H,26,29)
InChIKeyUFKDVPCKALFSPA-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.59
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide

N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide (PubChem CID 46091008) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide
PubChem CID46091008
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide
SMILESCN(c1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc2n1)C1CCCCC1
InChIInChI=1S/C24H26ClN3O/c1-28(19-10-3-2-4-11-19)23-15-21(20-12-5-6-13-22(20)27-23)24(29)26-16-17-8-7-9-18(25)14-17/h5-9,12-15,19H,2-4,10-11,16H2,1H3,(H,26,29)
InChIKeyUFKDVPCKALFSPA-UHFFFAOYSA-N
XLogP5.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]quinoline-4-carbothioamide
CID 63885147
[2-[cyclopentyl(methyl)amino]quinolin-4-yl]methanol
CID 61255815
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39335309
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108898698
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide (CID 46091008) is N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide is CN(c1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc2n1)C1CCCCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide?
The InChIKey is UFKDVPCKALFSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-28(19-10-3-2-4-11-19)23-15-21(20-12-5-6-13-22(20)27-23)24(29)26-16-17-8-7-9-18(25)14-17/h5-9,12-15,19H,2-4,10-11,16H2,1H3,(H,26,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide has a molecular weight of 407.95 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[cyclohexyl(methyl)amino]quinoline-4-carboxamide is sourced from PubChem (CID 46091008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).