2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide

C24H21Cl2F4N3O2 — CID 163266943

IUPAC2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide
SMILESCOc1ccc(F)c(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC2)c1Cl
InChIInChI=1S/C24H21Cl2F4N3O2/c1-35-19-9-7-16(27)21(22(19)26)23(34)32-14-5-3-13(4-6-14)31-18-11-20(24(28,29)30)33-17-8-2-12(25)10-15(17)18/h2,7-11,13-14H,3-6H2,1H3,(H,31,33)(H,32,34)
InChIKeyIAOXCYHYZXTTEX-UHFFFAOYSA-N
MW530.35 g/mol
LogP6.86
Rot. Bonds5

About 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide

2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide (PubChem CID 163266943) has the molecular formula C24H21Cl2F4N3O2 and a molecular weight of 530.35 g/mol. Its IUPAC name is 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide
PubChem CID163266943
Molecular FormulaC24H21Cl2F4N3O2
Molecular Weight530.35 g/mol
Exact Mass529.09
IUPAC Name2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide
SMILESCOc1ccc(F)c(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC2)c1Cl
InChIInChI=1S/C24H21Cl2F4N3O2/c1-35-19-9-7-16(27)21(22(19)26)23(34)32-14-5-3-13(4-6-14)31-18-11-20(24(28,29)30)33-17-8-2-12(25)10-15(17)18/h2,7-11,13-14H,3-6H2,1H3,(H,31,33)(H,32,34)
InChIKeyIAOXCYHYZXTTEX-UHFFFAOYSA-N
XLogP6.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.35
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide with MolForge

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Related Compounds

cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267053
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163267125
4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 163267355
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200
(2S)-2-(tert-butylcarbamoylamino)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3,3-dimethylbutanamide
CID 167099163
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-pyrazol-1-ylbenzamide
CID 163267123
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-5-methyl-4-oxidopyrazin-4-ium-2-carboxamide
CID 164787039
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(propanoylamino)benzamide
CID 163267091
4-(butanoylamino)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylbenzamide
CID 164991990
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
CID 163267359
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 163267157

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide?
The IUPAC name of 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide (CID 163266943) is 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide is COc1ccc(F)c(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc4ccc(Cl)cc34)CC2)c1Cl.
What is the InChIKey of 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide?
The InChIKey is IAOXCYHYZXTTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F4N3O2/c1-35-19-9-7-16(27)21(22(19)26)23(34)32-14-5-3-13(4-6-14)31-18-11-20(24(28,29)30)33-17-8-2-12(25)10-15(17)18/h2,7-11,13-14H,3-6H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide?
2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide has a molecular weight of 530.35 g/mol, XLogP of 6.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide is sourced from PubChem (CID 163266943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).