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

C111H80F7N19O5 — CID 158374327

IUPAC7-[(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
SMILESCOc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C#N)nc3cc(Cc4ccnc(C(F)(F)F)c4)ccc23)cn1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1
InChIInChI=1S/C23H15FN4O.C23H18FN3O.C22H17FN4O2.C22H16FN3O.C21H14F3N5/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;1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15;1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13;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;1-29-12-15(11-27-29)18-9-16(10-25)28-19-7-13(2-3-17(18)19)6-14-4-5-26-20(8-14)21(22,23)24/h1-8,10-11,13H,9H2,(H2,26,29);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28);1-9,11-13H,10H2,(H2,24,27);2-5,7-9,11-12H,6H2,1H3
InChIKeyGUZVOQIWNOGROJ-UHFFFAOYSA-N
MW1892.97 g/mol
LogP20.60
Rot. Bonds20

About 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

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 (PubChem CID 158374327) has the molecular formula C111H80F7N19O5 and a molecular weight of 1892.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID158374327
Molecular FormulaC111H80F7N19O5
Molecular Weight1892.97 g/mol
Exact Mass1891.65
IUPAC Name7-[(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
SMILESCOc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C#N)nc3cc(Cc4ccnc(C(F)(F)F)c4)ccc23)cn1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1
InChIInChI=1S/C23H15FN4O.C23H18FN3O.C22H17FN4O2.C22H16FN3O.C21H14F3N5/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;1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15;1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13;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;1-29-12-15(11-27-29)18-9-16(10-25)28-19-7-13(2-3-17(18)19)6-14-4-5-26-20(8-14)21(22,23)24/h1-8,10-11,13H,9H2,(H2,26,29);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28);1-9,11-13H,10H2,(H2,24,27);2-5,7-9,11-12H,6H2,1H3
InChIKeyGUZVOQIWNOGROJ-UHFFFAOYSA-N
XLogP20.60
TPSA388.78 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.97
LogP ≤ 520.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554868
8-Fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide
CID 89554927
7-[(2-Fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 89554959
7-[(2-Chloro-5-pyrimidinyl)methyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-quinolinecarboxamide
CID 89554971
7-[(2-Methoxy-5-pyrimidinyl)methyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-quinolinecarboxamide
CID 117642070
CID 118191401
CID 118191401
4-(1-Methylpyrazol-4-yl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 172455421
3-[1-[(5-Cyanopyrimidin-2-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118170872
2-N-[1-[(5-cyanopyrimidin-2-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118170873
3-[1-[(5-Cyanopyrimidin-2-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171966
2-N-[1-[(5-cyanopyrimidin-2-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171968
4-N-[1-[(5-cyanopyrimidin-2-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
CID 118191188

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.Cc1ccncc1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cn1cc(-c2cc(C#N)nc3cc(Cc4ccnc(C(F)(F)F)c4)ccc23)cn1.N#Cc1ccc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1.
What is the InChIKey of 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?
The InChIKey is GUZVOQIWNOGROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O.C23H18FN3O.C22H17FN4O2.C22H16FN3O.C21H14F3N5/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;1-14-8-9-26-13-17(14)10-15-2-7-19-20(16-3-5-18(24)6-4-16)12-22(23(25)28)27-21(19)11-15;1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13;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;1-29-12-15(11-27-29)18-9-16(10-25)28-19-7-13(2-3-17(18)19)6-14-4-5-26-20(8-14)21(22,23)24/h1-8,10-11,13H,9H2,(H2,26,29);2-9,11-13H,10H2,1H3,(H2,25,28);2-7,9-12H,8H2,1H3,(H2,24,28);1-9,11-13H,10H2,(H2,24,27);2-5,7-9,11-12H,6H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1892.97 g/mol, XLogP of 20.60, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158374327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).