4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide

C24H24F3N3O — CID 66815439

IUPAC4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)ccc2c1)c1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C24H24F3N3O/c25-24(26,27)19-9-6-18-12-21(15-29-22(18)13-19)30-23(31)17-7-10-20(11-8-17)28-14-16-4-2-1-3-5-16/h6-13,15-16,28H,1-5,14H2,(H,30,31)
InChIKeyZISICXMOXOMMTI-UHFFFAOYSA-N
MW427.47 g/mol
LogP6.50
Rot. Bonds5

About 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide

4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide (PubChem CID 66815439) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide
PubChem CID66815439
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)ccc2c1)c1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C24H24F3N3O/c25-24(26,27)19-9-6-18-12-21(15-29-22(18)13-19)30-23(31)17-7-10-20(11-8-17)28-14-16-4-2-1-3-5-16/h6-13,15-16,28H,1-5,14H2,(H,30,31)
InChIKeyZISICXMOXOMMTI-UHFFFAOYSA-N
XLogP6.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylmethylamino)-N-(6-fluoroquinolin-2-yl)benzamide
CID 66816015
3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
CID 10451096
3-[4-(cyclohexylmethylamino)phenyl]-N-quinolin-3-ylprop-2-enamide
CID 66815738
N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide
CID 66815550
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
N-benzoyl-4-(cyclohexylmethylamino)benzamide
CID 13273362
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728
N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine
CID 90965106
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782
N-[5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 71294308
N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 55030411

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide?
The IUPAC name of 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide (CID 66815439) is 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide.
What is the SMILES notation for 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide?
The canonical SMILES for 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide is O=C(Nc1cnc2cc(C(F)(F)F)ccc2c1)c1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide?
The InChIKey is ZISICXMOXOMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c25-24(26,27)19-9-6-18-12-21(15-29-22(18)13-19)30-23(31)17-7-10-20(11-8-17)28-14-16-4-2-1-3-5-16/h6-13,15-16,28H,1-5,14H2,(H,30,31).
What are the key properties of 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide?
4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide has a molecular weight of 427.47 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-N-[7-(trifluoromethyl)quinolin-3-yl]benzamide is sourced from PubChem (CID 66815439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).