7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide

C116H113F8N21O7S — CID 157265638

IUPAC7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
SMILESCN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1.Cc1cn(C2CCN(Cc3ccc4c(-c5ccc(F)cc5)cc(C(N)=O)nc4c3)CC2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCS(=O)(=O)CC3)cc2n1
InChIInChI=1S/C26H26FN5O.C24H23FN6O.C23H21F4N3O.C22H23FN4O.C21H20FN3O3S/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;24-17-6-4-15(5-7-17)19-11-21(22(28)31)29-20-10-14(3-8-18(19)20)12-30-9-1-2-16(13-30)23(25,26)27;1-26-8-10-27(11-9-26)14-15-2-7-18-19(16-3-5-17(23)6-4-16)13-21(22(24)28)25-20(18)12-15;22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-29(27,28)10-8-25/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);3-8,10-11,16H,1-2,9,12-13H2,(H2,28,31);2-7,12-13H,8-11,14H2,1H3,(H2,24,28);1-6,11-12H,7-10,13H2,(H2,23,26)
InChIKeyAXYQNHHWCKWCRZ-UHFFFAOYSA-N
MW2097.37 g/mol
LogP18.22
Rot. Bonds22

About 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide

7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide (PubChem CID 157265638) has the molecular formula C116H113F8N21O7S and a molecular weight of 2097.37 g/mol. Its IUPAC name is 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
PubChem CID157265638
Molecular FormulaC116H113F8N21O7S
Molecular Weight2097.37 g/mol
Exact Mass2095.87
IUPAC Name7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
SMILESCN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1.Cc1cn(C2CCN(Cc3ccc4c(-c5ccc(F)cc5)cc(C(N)=O)nc4c3)CC2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCS(=O)(=O)CC3)cc2n1
InChIInChI=1S/C26H26FN5O.C24H23FN6O.C23H21F4N3O.C22H23FN4O.C21H20FN3O3S/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;24-17-6-4-15(5-7-17)19-11-21(22(28)31)29-20-10-14(3-8-18(19)20)12-30-9-1-2-16(13-30)23(25,26)27;1-26-8-10-27(11-9-26)14-15-2-7-18-19(16-3-5-17(23)6-4-16)13-21(22(24)28)25-20(18)12-15;22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-29(27,28)10-8-25/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);3-8,10-11,16H,1-2,9,12-13H2,(H2,28,31);2-7,12-13H,8-11,14H2,1H3,(H2,24,28);1-6,11-12H,7-10,13H2,(H2,23,26)
InChIKeyAXYQNHHWCKWCRZ-UHFFFAOYSA-N
XLogP18.22
TPSA382.01 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002097.37
LogP ≤ 518.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide with MolForge

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Related Compounds

1-[[2-Carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]methyl]quinoline-2-carboxamide
CID 158275172
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
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
bis(2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone);2-[4-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]ethanone;1-[4-methyl-3-(2-quinazolin-5-ylethynyl)phenyl]-2-[4-[(4-propylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 159636298

Frequently Asked Questions

What is the IUPAC name of 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide (CID 157265638) is 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide is CN1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)CC1.Cc1cn(C2CCN(Cc3ccc4c(-c5ccc(F)cc5)cc(C(N)=O)nc4c3)CC2)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C(F)(F)F)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(n4cncn4)C3)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCS(=O)(=O)CC3)cc2n1.
What is the InChIKey of 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?
The InChIKey is AXYQNHHWCKWCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O.C24H23FN6O.C23H21F4N3O.C22H23FN4O.C21H20FN3O3S/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;24-17-6-4-15(5-7-17)19-11-21(22(28)31)29-20-10-14(3-8-18(19)20)12-30-9-1-2-16(13-30)23(25,26)27;1-26-8-10-27(11-9-26)14-15-2-7-18-19(16-3-5-17(23)6-4-16)13-21(22(24)28)25-20(18)12-15;22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-29(27,28)10-8-25/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);3-8,10-11,16H,1-2,9,12-13H2,(H2,28,31);2-7,12-13H,8-11,14H2,1H3,(H2,24,28);1-6,11-12H,7-10,13H2,(H2,23,26).
What are the key properties of 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?
7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2097.37 g/mol, XLogP of 18.22, 22 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-(4-methylimidazol-1-yl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]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-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 157265638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).