4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C93H89F7N18O5 — CID 158920192

About 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 158920192) has the molecular formula C93H89F7N18O5 and a molecular weight of 1671.84 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
• PubChem CID: 158920192
• Molecular Formula: C93H89F7N18O5
• Molecular Weight: 1671.84 g/mol
• Exact Mass: 1670.72
• IUPAC Name: 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
• SMILES: Cc1cn(C2CCN(Cc3ccc4c(-c5ccc(F)cc5)cc(C(N)=O)nc4c3)CC2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1
• InChI: InChI=1S/C26H26FN5O.C24H23FN6O.C22H19F4N3O2.C21H21FN4O/c1-17-14-32(16-29-17)21-8-10-31(11-9-21)15-18-2-7-22-23(19-3-5-20(27)6-4-19)13-25(26(28)33)30-24(22)12-18;25-18-6-4-17(5-7-18)21-11-23(24(26)32)29-22-10-16(3-8-20(21)22)12-30-9-1-2-19(13-30)31-15-27-14-28-31;23-15-4-2-14(3-5-15)17-10-19(21(27)30)28-18-9-13(1-6-16(17)18)11-29-7-8-31-20(12-29)22(24,25)26;22-16-4-2-15(3-5-16)18-12-20(21(23)27)25-19-11-14(1-6-17(18)19)13-26-9-7-24-8-10-26/h2-7,12-14,16,21H,8-11,15H2,1H3,(H2,28,33);3-8,10-11,14-15,19H,1-2,9,12-13H2,(H2,26,32);1-6,9-10,20H,7-8,11-12H2,(H2,27,30);1-6,11-12,24H,7-10,13H2,(H2,23,27)
• InChIKey: JHSWVAQAOOBSIB-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 306.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.84
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?

The IUPAC name of 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 158920192) is 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

What is the SMILES notation for 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?

The canonical SMILES for 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is Cc1cn(C2CCN(Cc3ccc4c(-c5ccc(F)cc5)cc(C(N)=O)nc4c3)CC2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.

What is the InChIKey of 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?

The InChIKey is JHSWVAQAOOBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O.C24H23FN6O.C22H19F4N3O2.C21H21FN4O/c1-17-14-32(16-29-17)21-8-10-31(11-9-21)15-18-2-7-22-23(19-3-5-20(27)6-4-19)13-25(26(28)33)30-24(22)12-18;25-18-6-4-17(5-7-18)21-11-23(24(26)32)29-22-10-16(3-8-20(21)22)12-30-9-1-2-19(13-30)31-15-27-14-28-31;23-15-4-2-14(3-5-15)17-10-19(21(27)30)28-18-9-13(1-6-16(17)18)11-29-7-8-31-20(12-29)22(24,25)26;22-16-4-2-15(3-5-16)18-12-20(21(23)27)25-19-11-14(1-6-17(18)19)13-26-9-7-24-8-10-26/h2-7,12-14,16,21H,8-11,15H2,1H3,(H2,28,33);3-8,10-11,14-15,19H,1-2,9,12-13H2,(H2,26,32);1-6,9-10,20H,7-8,11-12H2,(H2,27,30);1-6,11-12,24H,7-10,13H2,(H2,23,27).

What are the key properties of 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?

4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 1671.84 g/mol, XLogP of 14.50, 18 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(piperazin-1-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158920192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).