4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid

C66H59F19N8O9 — CID 158444118

IUPAC4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid
SMILESCOc1ccc(CNc2cc(C(=O)NC[C@H]3CCCC(F)(F)C3)nc3c(C(F)(F)F)cc(OC(F)F)cc23)cc1.COc1ccc(CNc2cc(C(=O)O)nc3c(C(F)(F)F)cc(OC(F)F)cc23)cc1.Nc1cc(C(=O)NC[C@H]2CCCC(F)(F)C2)nc2c(C(F)(F)F)cc(OC(F)F)cc12
InChIInChI=1S/C27H26F7N3O3.C20H15F5N2O4.C19H18F7N3O2/c1-39-17-6-4-15(5-7-17)13-35-21-11-22(24(38)36-14-16-3-2-8-26(30,31)12-16)37-23-19(21)9-18(40-25(28)29)10-20(23)27(32,33)34;1-30-11-4-2-10(3-5-11)9-26-15-8-16(18(28)29)27-17-13(15)6-12(31-19(21)22)7-14(17)20(23,24)25;20-17(21)31-10-4-11-13(27)6-14(29-15(11)12(5-10)19(24,25)26)16(30)28-8-9-2-1-3-18(22,23)7-9/h4-7,9-11,16,25H,2-3,8,12-14H2,1H3,(H,35,37)(H,36,38);2-8,19H,9H2,1H3,(H,26,27)(H,28,29);4-6,9,17H,1-3,7-8H2,(H2,27,29)(H,28,30)/t16-;;9-/m0.0/s1
InChIKeyHDEGYCXQBFVZFW-KWEIMGRYSA-N
MW1469.21 g/mol
LogP17.20
Rot. Bonds21

About 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid

4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid (PubChem CID 158444118) has the molecular formula C66H59F19N8O9 and a molecular weight of 1469.21 g/mol. Its IUPAC name is 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid
PubChem CID158444118
Molecular FormulaC66H59F19N8O9
Molecular Weight1469.21 g/mol
Exact Mass1468.41
IUPAC Name4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid
SMILESCOc1ccc(CNc2cc(C(=O)NC[C@H]3CCCC(F)(F)C3)nc3c(C(F)(F)F)cc(OC(F)F)cc23)cc1.COc1ccc(CNc2cc(C(=O)O)nc3c(C(F)(F)F)cc(OC(F)F)cc23)cc1.Nc1cc(C(=O)NC[C@H]2CCCC(F)(F)C2)nc2c(C(F)(F)F)cc(OC(F)F)cc12
InChIInChI=1S/C27H26F7N3O3.C20H15F5N2O4.C19H18F7N3O2/c1-39-17-6-4-15(5-7-17)13-35-21-11-22(24(38)36-14-16-3-2-8-26(30,31)12-16)37-23-19(21)9-18(40-25(28)29)10-20(23)27(32,33)34;1-30-11-4-2-10(3-5-11)9-26-15-8-16(18(28)29)27-17-13(15)6-12(31-19(21)22)7-14(17)20(23,24)25;20-17(21)31-10-4-11-13(27)6-14(29-15(11)12(5-10)19(24,25)26)16(30)28-8-9-2-1-3-18(22,23)7-9/h4-7,9-11,16,25H,2-3,8,12-14H2,1H3,(H,35,37)(H,36,38);2-8,19H,9H2,1H3,(H,26,27)(H,28,29);4-6,9,17H,1-3,7-8H2,(H2,27,29)(H,28,30)/t16-;;9-/m0.0/s1
InChIKeyHDEGYCXQBFVZFW-KWEIMGRYSA-N
XLogP17.20
TPSA230.40 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001469.21
LogP ≤ 517.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid with MolForge

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Related Compounds

2-[[(2S)-1-methoxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 57602215
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-(acridin-9-ylamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-(acridin-9-ylamino)-2-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]hexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-6-[(4-boronobenzoyl)amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 145960846
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-(acridin-9-ylamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-(acridin-9-ylamino)-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]hexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-6-[(4-boronobenzoyl)amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 145963024
2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-6-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 16050723
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-piperidin-4-ylpiperidine-4-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 20729883
N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 22258496
(3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(quinoline-2-carbonyl)piperidine-3,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 22956928
2-[[(2S)-1-(4-hydroxyphenyl)-3-methoxypropan-2-yl]carbamoyl]-6-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-4-carboxylic acid
CID 25026370
6-methoxy-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 53464378
3-methylbutyl 2-[[(2S)-1-(4-hydroxyphenyl)-3-methoxypropan-2-yl]carbamoyl]-6-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 57602214
6-(3-fluoro-4-methoxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]quinoline-4-carboxylic acid
CID 57602284
2-[[(2S)-1-(4-hydroxyphenyl)-3-methoxypropan-2-yl]carbamoyl]-6-[[3-(trifluoromethyl)phenoxy]methyl]quinoline-4-carboxylic acid
CID 57602339

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The IUPAC name of 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid (CID 158444118) is 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The canonical SMILES for 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid is COc1ccc(CNc2cc(C(=O)NC[C@H]3CCCC(F)(F)C3)nc3c(C(F)(F)F)cc(OC(F)F)cc23)cc1.COc1ccc(CNc2cc(C(=O)O)nc3c(C(F)(F)F)cc(OC(F)F)cc23)cc1.Nc1cc(C(=O)NC[C@H]2CCCC(F)(F)C2)nc2c(C(F)(F)F)cc(OC(F)F)cc12.
What is the InChIKey of 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The InChIKey is HDEGYCXQBFVZFW-KWEIMGRYSA-N. The full InChI is InChI=1S/C27H26F7N3O3.C20H15F5N2O4.C19H18F7N3O2/c1-39-17-6-4-15(5-7-17)13-35-21-11-22(24(38)36-14-16-3-2-8-26(30,31)12-16)37-23-19(21)9-18(40-25(28)29)10-20(23)27(32,33)34;1-30-11-4-2-10(3-5-11)9-26-15-8-16(18(28)29)27-17-13(15)6-12(31-19(21)22)7-14(17)20(23,24)25;20-17(21)31-10-4-11-13(27)6-14(29-15(11)12(5-10)19(24,25)26)16(30)28-8-9-2-1-3-18(22,23)7-9/h4-7,9-11,16,25H,2-3,8,12-14H2,1H3,(H,35,37)(H,36,38);2-8,19H,9H2,1H3,(H,26,27)(H,28,29);4-6,9,17H,1-3,7-8H2,(H2,27,29)(H,28,30)/t16-;;9-/m0.0/s1.
What are the key properties of 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid?
4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid has a molecular weight of 1469.21 g/mol, XLogP of 17.20, 21 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 158444118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).