7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide

C133H102F4N26O6 — CID 159481443

IUPAC7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C#N)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncc(CO)c3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1
InChIInChI=1S/C23H15FN4O.C23H18FN3O2.C22H16FN3O.C22H20N6O.C22H18N6.C21H15FN4O/c24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15;24-18-4-2-17(3-5-18)20-10-22(23(25)29)27-21-9-14(1-6-19(20)21)7-15-8-16(13-28)12-26-11-15;23-17-6-4-16(5-7-17)19-12-21(22(24)27)26-20-11-14(3-8-18(19)20)10-15-2-1-9-25-13-15;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;1-28-13-17(12-26-28)20-8-18(9-23)27-21-7-14(2-5-19(20)21)6-15-10-24-22(25-11-15)16-3-4-16;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h1-8,10-11,13H,9H2,(H2,26,29);1-6,8-12,28H,7,13H2,(H2,25,29);1-9,11-13H,10H2,(H2,24,27);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);2,5,7-8,10-13,16H,3-4,6H2,1H3;1-6,8-12H,7H2,(H2,23,27)
InChIKeyLXAZXDUKJKHYNQ-UHFFFAOYSA-N
MW2236.45 g/mol
LogP22.02
Rot. Bonds26

About 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide

7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide (PubChem CID 159481443) has the molecular formula C133H102F4N26O6 and a molecular weight of 2236.45 g/mol. Its IUPAC name is 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
PubChem CID159481443
Molecular FormulaC133H102F4N26O6
Molecular Weight2236.45 g/mol
Exact Mass2234.84
IUPAC Name7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C#N)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncc(CO)c3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1
InChIInChI=1S/C23H15FN4O.C23H18FN3O2.C22H16FN3O.C22H20N6O.C22H18N6.C21H15FN4O/c24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15;24-18-4-2-17(3-5-18)20-10-22(23(25)29)27-21-9-14(1-6-19(20)21)7-15-8-16(13-28)12-26-11-15;23-17-6-4-16(5-7-17)19-12-21(22(24)27)26-20-11-14(3-8-18(19)20)10-15-2-1-9-25-13-15;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;1-28-13-17(12-26-28)20-8-18(9-23)27-21-7-14(2-5-19(20)21)6-15-10-24-22(25-11-15)16-3-4-16;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h1-8,10-11,13H,9H2,(H2,26,29);1-6,8-12,28H,7,13H2,(H2,25,29);1-9,11-13H,10H2,(H2,24,27);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);2,5,7-8,10-13,16H,3-4,6H2,1H3;1-6,8-12H,7H2,(H2,23,27)
InChIKeyLXAZXDUKJKHYNQ-UHFFFAOYSA-N
XLogP22.02
TPSA512.25 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002236.45
LogP ≤ 522.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide with MolForge

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Related Compounds

7-[(2-Chloropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(6-cyanopyridazin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxy-4-pyridinyl)methyl]quinoline-2-carboxamide;7-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 157923772
7-[(6-Cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methyl-3-pyridinyl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carbonitrile
CID 158374327
7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carbonitrile
CID 159970664
7-[(2-Cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;methane;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-yl]ethanone
CID 161901858
7-[(2-Cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[2-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-yl]ethanone
CID 162166854
N-[[2-[2-[3-[4-amino-6-[(5-cyano-1-cyclopropylpyrrol-3-yl)amino]-1,3,5-triazin-2-yl]-2-(hydroxymethyl)phenyl]-8-fluoro-1-oxoisoquinolin-6-yl]cyclopropyl]methyl]-4-[[4-amino-6-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]-N,1-dimethylpyrrole-2-carboxamide
CID 163766096
1-[8-amino-5-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-3-methylurea;(1S,2S,3S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide;(1S,2S,3R)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-7-(hydroxymethyl)-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;7-fluoro-3-N-[1-[(1S)-1-isocyanoethyl]pyrazol-4-yl]-6-(2-methylphenyl)isoquinoline-3,8-diamine;7-fluoro-3-N-[1-[(1R)-1-isocyanoethyl]pyrazol-4-yl]-6-(2-methylphenyl)isoquinoline-3,8-diamine
CID 157219990
4-[[4-Amino-6-[2-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-3-(hydroxymethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]methyl]-1-cyclopropylpyrrole-2-carbonitrile;4-[[4-amino-6-[2-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-3-(hydroxymethyl)-4-pyridinyl]-1,3,5-triazin-2-yl]methyl]-1-methylpyrrole-2-carbonitrile;2-[4-[4-amino-6-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-yl]-3-(hydroxymethyl)-2-pyridinyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one;2-[5-[4-amino-6-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-yl]-4-(hydroxymethyl)-3-pyridinyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
CID 157867761
Bis(4-(4-fluorophenyl)-7-(1-hydroxy-2-pyridin-3-ylethyl)quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(2-pyridin-3-ylethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-pyrimidin-5-ylethyl)quinoline-2-carboxamide
CID 159281528
7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
CID 159535698
7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-fluoro-7-[(4-methyl-3-pyridinyl)methyl]quinolin-2-yl]ethanone;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
CID 159722317
7-[(3-Chloro-2-methoxy-4-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)-4-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide
CID 159925866

Frequently Asked Questions

What is the IUPAC name of 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide (CID 159481443) is 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide is Cn1cc(-c2cc(C#N)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(C5CC5)nc4)ccc23)cn1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncc(CO)c3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cncnc3)cc2n1.
What is the InChIKey of 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
The InChIKey is LXAZXDUKJKHYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O.C23H18FN3O2.C22H16FN3O.C22H20N6O.C22H18N6.C21H15FN4O/c24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15;24-18-4-2-17(3-5-18)20-10-22(23(25)29)27-21-9-14(1-6-19(20)21)7-15-8-16(13-28)12-26-11-15;23-17-6-4-16(5-7-17)19-12-21(22(24)27)26-20-11-14(3-8-18(19)20)10-15-2-1-9-25-13-15;1-28-12-16(11-26-28)18-8-20(21(23)29)27-19-7-13(2-5-17(18)19)6-14-9-24-22(25-10-14)15-3-4-15;1-28-13-17(12-26-28)20-8-18(9-23)27-21-7-14(2-5-19(20)21)6-15-10-24-22(25-11-15)16-3-4-16;22-16-4-2-15(3-5-16)18-9-20(21(23)27)26-19-8-13(1-6-17(18)19)7-14-10-24-12-25-11-14/h1-8,10-11,13H,9H2,(H2,26,29);1-6,8-12,28H,7,13H2,(H2,25,29);1-9,11-13H,10H2,(H2,24,27);2,5,7-12,15H,3-4,6H2,1H3,(H2,23,29);2,5,7-8,10-13,16H,3-4,6H2,1H3;1-6,8-12H,7H2,(H2,23,27).
What are the key properties of 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide?
7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide has a molecular weight of 2236.45 g/mol, XLogP of 22.02, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-cyano-3-pyridinyl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carbonitrile;7-[(2-cyclopropylpyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[5-(hydroxymethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(pyrimidin-5-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 159481443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).