N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide

C27H25F3N4O — CID 167099267

IUPACN-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
SMILESCN(c1cc(C(F)(F)F)nc2ccccc12)C1CCC(NC(=O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C27H25F3N4O/c1-34(24-16-25(27(28,29)30)33-23-9-5-3-7-21(23)24)18-12-10-17(11-13-18)32-26(35)20-14-15-31-22-8-4-2-6-19(20)22/h2-9,14-18H,10-13H2,1H3,(H,32,35)
InChIKeyQUOAIGPUHXLNAZ-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.98
Rot. Bonds4

About N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide

N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide (PubChem CID 167099267) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
PubChem CID167099267
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC NameN-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
SMILESCN(c1cc(C(F)(F)F)nc2ccccc12)C1CCC(NC(=O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C27H25F3N4O/c1-34(24-16-25(27(28,29)30)33-23-9-5-3-7-21(23)24)18-12-10-17(11-13-18)32-26(35)20-14-15-31-22-8-4-2-6-19(20)22/h2-9,14-18H,10-13H2,1H3,(H,32,35)
InChIKeyQUOAIGPUHXLNAZ-UHFFFAOYSA-N
XLogP5.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 167099514
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
CID 167099516
3,5-dimethyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,2-oxazole-4-carboxamide
CID 167099511
3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099137
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099423
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 167099460
2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 163267072
3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide
CID 167099288
2-(dimethylamino)-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163229648
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide?
The IUPAC name of N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide (CID 167099267) is N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide?
The canonical SMILES for N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide is CN(c1cc(C(F)(F)F)nc2ccccc12)C1CCC(NC(=O)c2ccnc3ccccc23)CC1.
What is the InChIKey of N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide?
The InChIKey is QUOAIGPUHXLNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-34(24-16-25(27(28,29)30)33-23-9-5-3-7-21(23)24)18-12-10-17(11-13-18)32-26(35)20-14-15-31-22-8-4-2-6-19(20)22/h2-9,14-18H,10-13H2,1H3,(H,32,35).
What are the key properties of N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide?
N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide is sourced from PubChem (CID 167099267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).