4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid

C63H42ClF9N8O5 — CID 159002500

IUPAC4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid
SMILESNc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(-c3ccccc3)cc12.O=C(NCc1ccccn1)c1cc(Cl)c2cc(-c3ccccc3)cc(C(F)(F)F)c2n1.O=C(O)c1cc(=O)c2cc(-c3ccccc3)cc(C(F)(F)F)c2[nH]1
InChIInChI=1S/C23H15ClF3N3O.C23H17F3N4O.C17H10F3NO3/c24-19-12-20(22(31)29-13-16-8-4-5-9-28-16)30-21-17(19)10-15(11-18(21)23(25,26)27)14-6-2-1-3-7-14;24-23(25,26)18-11-15(14-6-2-1-3-7-14)10-17-19(27)12-20(30-21(17)18)22(31)29-13-16-8-4-5-9-28-16;18-17(19,20)12-7-10(9-4-2-1-3-5-9)6-11-14(22)8-13(16(23)24)21-15(11)12/h1-12H,13H2,(H,29,31);1-12H,13H2,(H2,27,30)(H,29,31);1-8H,(H,21,22)(H,23,24)
InChIKeyJRMVLBGISPBEPI-UHFFFAOYSA-N
MW1197.51 g/mol
LogP14.64
Rot. Bonds10

About 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid

4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid (PubChem CID 159002500) has the molecular formula C63H42ClF9N8O5 and a molecular weight of 1197.51 g/mol. Its IUPAC name is 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid
PubChem CID159002500
Molecular FormulaC63H42ClF9N8O5
Molecular Weight1197.51 g/mol
Exact Mass1196.28
IUPAC Name4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid
SMILESNc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(-c3ccccc3)cc12.O=C(NCc1ccccn1)c1cc(Cl)c2cc(-c3ccccc3)cc(C(F)(F)F)c2n1.O=C(O)c1cc(=O)c2cc(-c3ccccc3)cc(C(F)(F)F)c2[nH]1
InChIInChI=1S/C23H15ClF3N3O.C23H17F3N4O.C17H10F3NO3/c24-19-12-20(22(31)29-13-16-8-4-5-9-28-16)30-21-17(19)10-15(11-18(21)23(25,26)27)14-6-2-1-3-7-14;24-23(25,26)18-11-15(14-6-2-1-3-7-14)10-17-19(27)12-20(30-21(17)18)22(31)29-13-16-8-4-5-9-28-16;18-17(19,20)12-7-10(9-4-2-1-3-5-9)6-11-14(22)8-13(16(23)24)21-15(11)12/h1-12H,13H2,(H,29,31);1-12H,13H2,(H2,27,30)(H,29,31);1-8H,(H,21,22)(H,23,24)
InChIKeyJRMVLBGISPBEPI-UHFFFAOYSA-N
XLogP14.64
TPSA205.94 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.51
LogP ≤ 514.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[5-[3-Chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]pyridine-2-carbonyl]amino]butylcarbamic acid
CID 126531196
5-[2-[3-[[2-[(8-chloroquinolin-4-yl)amino]benzoyl]amino]piperidin-1-yl]ethyl]-N-(1-ethylpiperidin-3-yl)-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 139480085
5-[2-[3-[[5-[2-[3-[[2-[(8-Chloroquinolin-4-yl)amino]benzoyl]amino]piperidin-1-yl]ethyl]-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]amino]piperidin-1-yl]ethyl]-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 139480143
5-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoline-8-carboxamide;2-amino-3,3,3-trifluoropropanoic acid;bis(5-[(3R,5S)-3-[(2-amino-3,3,3-trifluoropropanoyl)amino]-5-methylpiperidin-1-yl]quinoline-8-carboxamide)
CID 157069083
5-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoline-8-carboxamide;(2S)-2-amino-3,3,3-trifluoropropanoic acid;bis(5-[(3R,5S)-3-[(2-amino-3,3,3-trifluoropropanoyl)amino]-5-methylpiperidin-1-yl]quinoline-8-carboxamide)
CID 157069084
2-(benzylamino)-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-4-fluorobenzamide;N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-2-fluoro-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 157449109
5-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoline-8-carboxamide;2-amino-3,3,3-trifluoropropanoic acid;bis(5-[(3R,5S)-3-[(2-amino-3,3,3-trifluoropropanoyl)amino]-5-methylpiperidin-1-yl]quinoline-8-carboxamide);methane
CID 158017458
8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide
CID 158456486
2-(benzylamino)-N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-4-fluorobenzamide;N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]ethyl]-2,3,4,5,6-pentafluorobenzamide;methane
CID 159373201
8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(2-hydroxyethyl)-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 160004359
4-amino-6-phenyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid
CID 160324482
4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide
CID 160902654

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid (CID 159002500) is 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid is Nc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(-c3ccccc3)cc12.O=C(NCc1ccccn1)c1cc(Cl)c2cc(-c3ccccc3)cc(C(F)(F)F)c2n1.O=C(O)c1cc(=O)c2cc(-c3ccccc3)cc(C(F)(F)F)c2[nH]1.
What is the InChIKey of 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid?
The InChIKey is JRMVLBGISPBEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O.C23H17F3N4O.C17H10F3NO3/c24-19-12-20(22(31)29-13-16-8-4-5-9-28-16)30-21-17(19)10-15(11-18(21)23(25,26)27)14-6-2-1-3-7-14;24-23(25,26)18-11-15(14-6-2-1-3-7-14)10-17-19(27)12-20(30-21(17)18)22(31)29-13-16-8-4-5-9-28-16;18-17(19,20)12-7-10(9-4-2-1-3-5-9)6-11-14(22)8-13(16(23)24)21-15(11)12/h1-12H,13H2,(H,29,31);1-12H,13H2,(H2,27,30)(H,29,31);1-8H,(H,21,22)(H,23,24).
What are the key properties of 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid?
4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid has a molecular weight of 1197.51 g/mol, XLogP of 14.64, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-phenyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-oxo-6-phenyl-8-(trifluoromethyl)-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 159002500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).