N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid

C58H46BrF9N8O4 — CID 160847270

IUPACN-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
SMILESCc1cc(C(=O)NCc2cc(Br)ccn2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCc2cc(C#N)ccn2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C3CC3)cc12
InChIInChI=1S/C22H17F3N4O.C21H17BrF3N3O.C15H12F3NO2/c1-12-6-19(21(30)28-11-16-7-13(10-26)4-5-27-16)29-20-17(12)8-15(14-2-3-14)9-18(20)22(23,24)25;1-11-6-18(20(29)27-10-15-9-14(22)4-5-26-15)28-19-16(11)7-13(12-2-3-12)8-17(19)21(23,24)25;1-7-4-12(14(20)21)19-13-10(7)5-9(8-2-3-8)6-11(13)15(16,17)18/h4-9,14H,2-3,11H2,1H3,(H,28,30);4-9,12H,2-3,10H2,1H3,(H,27,29);4-6,8H,2-3H2,1H3,(H,20,21)
InChIKeySIULZKLSWPTHED-UHFFFAOYSA-N
MW1169.94 g/mol
LogP14.30
Rot. Bonds10

About N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid

N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid (PubChem CID 160847270) has the molecular formula C58H46BrF9N8O4 and a molecular weight of 1169.94 g/mol. Its IUPAC name is N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid.

Molecular Properties

Compound NameN-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
PubChem CID160847270
Molecular FormulaC58H46BrF9N8O4
Molecular Weight1169.94 g/mol
Exact Mass1168.27
IUPAC NameN-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
SMILESCc1cc(C(=O)NCc2cc(Br)ccn2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCc2cc(C#N)ccn2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C3CC3)cc12
InChIInChI=1S/C22H17F3N4O.C21H17BrF3N3O.C15H12F3NO2/c1-12-6-19(21(30)28-11-16-7-13(10-26)4-5-27-16)29-20-17(12)8-15(14-2-3-14)9-18(20)22(23,24)25;1-11-6-18(20(29)27-10-15-9-14(22)4-5-26-15)28-19-16(11)7-13(12-2-3-12)8-17(19)21(23,24)25;1-7-4-12(14(20)21)19-13-10(7)5-9(8-2-3-8)6-11(13)15(16,17)18/h4-9,14H,2-3,11H2,1H3,(H,28,30);4-9,12H,2-3,10H2,1H3,(H,27,29);4-6,8H,2-3H2,1H3,(H,20,21)
InChIKeySIULZKLSWPTHED-UHFFFAOYSA-N
XLogP14.30
TPSA183.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.94
LogP ≤ 514.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid with MolForge

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Related Compounds

ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-(1-methylcyclopropyl)-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate;4-methyl-6-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-(1-methylcyclopropyl)-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 157275795
N-[(5-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(5-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 157697413
6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 158227029
6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 159326265
6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 159603872
6-(2,2-difluorocyclopropyl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 6-ethenyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 160238474
(2S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile;6-bromoquinoline-4-carboxylic acid;6-(6-cyclopropyl-3-pyridinyl)quinoline-4-carboxylic acid;(2S)-1-[4-[6-(6-cyclopropyl-3-pyridinyl)quinolin-4-yl]-4-oxobutanoyl]-4,4-difluoropyrrolidine-2-carbonitrile;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
CID 161397222
ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;6-isocyano-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-isocyano-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;pyridin-2-ylmethanamine
CID 161586400
potassium;6-cyclopropyl-N-(6-methoxy-2-oxohexyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(5-methoxy-2-oxopentyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetic acid;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;methanamine;methyl 2-aminoacetate;methyl 2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetate;hydroxide
CID 162141506
6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen
CID 157085363
8-bromo-1,6-naphthyridine-2-carboxylic acid;8-bromo-N-[(1R)-1-phenylethyl]-1,6-naphthyridine-2-carboxamide;methane;(1R)-1-phenylethanamine
CID 157228091
2-(2-Amino-4-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylisoquinolin-3-yl)ethanone;tert-butyl 4-[3-[2-(2-amino-4-fluorophenyl)acetyl]-8-cyclopropylisoquinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid
CID 158628490

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The IUPAC name of N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid (CID 160847270) is N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid.
What is the SMILES notation for N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The canonical SMILES for N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid is Cc1cc(C(=O)NCc2cc(Br)ccn2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCc2cc(C#N)ccn2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C3CC3)cc12.
What is the InChIKey of N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid?
The InChIKey is SIULZKLSWPTHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O.C21H17BrF3N3O.C15H12F3NO2/c1-12-6-19(21(30)28-11-16-7-13(10-26)4-5-27-16)29-20-17(12)8-15(14-2-3-14)9-18(20)22(23,24)25;1-11-6-18(20(29)27-10-15-9-14(22)4-5-26-15)28-19-16(11)7-13(12-2-3-12)8-17(19)21(23,24)25;1-7-4-12(14(20)21)19-13-10(7)5-9(8-2-3-8)6-11(13)15(16,17)18/h4-9,14H,2-3,11H2,1H3,(H,28,30);4-9,12H,2-3,10H2,1H3,(H,27,29);4-6,8H,2-3H2,1H3,(H,20,21).
What are the key properties of N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid?
N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid has a molecular weight of 1169.94 g/mol, XLogP of 14.30, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;N-[(4-cyano-2-pyridinyl)methyl]-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid is sourced from PubChem (CID 160847270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).