4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine

C17H20ClF3N4 — CID 163267179

IUPAC4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N(N)c2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H20ClF3N4/c1-23-11-3-5-12(6-4-11)25(22)15-9-16(17(19,20)21)24-14-7-2-10(18)8-13(14)15/h2,7-9,11-12,23H,3-6,22H2,1H3
InChIKeyZTFKVOPSOKZNAN-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.12
Rot. Bonds3

About 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine

4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine (PubChem CID 163267179) has the molecular formula C17H20ClF3N4 and a molecular weight of 372.82 g/mol. Its IUPAC name is 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine
PubChem CID163267179
Molecular FormulaC17H20ClF3N4
Molecular Weight372.82 g/mol
Exact Mass372.13
IUPAC Name4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N(N)c2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H20ClF3N4/c1-23-11-3-5-12(6-4-11)25(22)15-9-16(17(19,20)21)24-14-7-2-10(18)8-13(14)15/h2,7-9,11-12,23H,3-6,22H2,1H3
InChIKeyZTFKVOPSOKZNAN-UHFFFAOYSA-N
XLogP4.12
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 167099450
2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-sulfanylamino]cyclohexyl]-4-methylpyridine-3-carboxamide
CID 163267027
(E)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 167099445
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 167099460
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099423
benzyl N-[4-[[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]amino]-4-oxobutyl]carbamate
CID 167099287
3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099137
2-(4-chloro-1H-indol-3-yl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]acetamide
CID 167099232
3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide
CID 167099288
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
CID 167099516
2-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine
CID 2737662

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine (CID 163267179) is 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine is CNC1CCC(N(N)c2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1.
What is the InChIKey of 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine?
The InChIKey is ZTFKVOPSOKZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N4/c1-23-11-3-5-12(6-4-11)25(22)15-9-16(17(19,20)21)24-14-7-2-10(18)8-13(14)15/h2,7-9,11-12,23H,3-6,22H2,1H3.
What are the key properties of 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine?
4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine has a molecular weight of 372.82 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 163267179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).