6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide

C25H29ClF3N3O2 — CID 169218499

IUPAC6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide
SMILESC1CCCCC1.CNc1cc(C(F)(F)F)nc2ccc(Cl)cc12.COc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H8ClF3N2.C8H9NO2.C6H12/c1-16-9-5-10(11(13,14)15)17-8-3-2-6(12)4-7(8)9;1-11-7-4-2-6(3-5-7)8(9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,16,17);2-5H,1H3,(H2,9,10);1-6H2
InChIKeyAHZKXQZPBGDZRV-UHFFFAOYSA-N
MW495.97 g/mol
LogP7.08
Rot. Bonds3

About 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide

6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide (PubChem CID 169218499) has the molecular formula C25H29ClF3N3O2 and a molecular weight of 495.97 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide.

Molecular Properties

Compound Name6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide
PubChem CID169218499
Molecular FormulaC25H29ClF3N3O2
Molecular Weight495.97 g/mol
Exact Mass495.19
IUPAC Name6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide
SMILESC1CCCCC1.CNc1cc(C(F)(F)F)nc2ccc(Cl)cc12.COc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H8ClF3N2.C8H9NO2.C6H12/c1-16-9-5-10(11(13,14)15)17-8-3-2-6(12)4-7(8)9;1-11-7-4-2-6(3-5-7)8(9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,16,17);2-5H,1H3,(H2,9,10);1-6H2
InChIKeyAHZKXQZPBGDZRV-UHFFFAOYSA-N
XLogP7.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.97
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide
CID 163266943
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydroquinoline-7-carboxamide
CID 163267233
6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62203940
N-[(1R,3S)-3-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4-(dimethylamino)benzamide
CID 169084101
4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline
CID 135018951
4-chloro-1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyrazole-5-carboxamide
CID 163267229
1-[(3S,5R)-3-amino-5-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]piperidin-1-yl]ethanone
CID 177295664
6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62201831
4-[amino-[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]-N-methylcyclohexan-1-amine
CID 163267179
6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide
CID 169217952

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide?
The IUPAC name of 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide (CID 169218499) is 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide.
What is the SMILES notation for 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide?
The canonical SMILES for 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide is C1CCCCC1.CNc1cc(C(F)(F)F)nc2ccc(Cl)cc12.COc1ccc(C(N)=O)cc1.
What is the InChIKey of 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide?
The InChIKey is AHZKXQZPBGDZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2.C8H9NO2.C6H12/c1-16-9-5-10(11(13,14)15)17-8-3-2-6(12)4-7(8)9;1-11-7-4-2-6(3-5-7)8(9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,16,17);2-5H,1H3,(H2,9,10);1-6H2.
What are the key properties of 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide?
6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide has a molecular weight of 495.97 g/mol, XLogP of 7.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;4-methoxybenzamide is sourced from PubChem (CID 169218499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).