7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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

C119H85ClF8N22O5 — CID 157319707

IUPAC7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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
SMILESCc1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(-c4cccnc4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(CC(F)(F)F)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3Cl)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4cccnc43)cc2n1
InChIInChI=1S/C29H20FN5O.C26H18F4N4O.C23H16FN5O.C21H17FN4O.C20H14ClFN4O/c30-21-10-8-19(9-11-21)23-15-26(28(31)36)33-25-14-18(7-12-22(23)25)17-35-27-6-2-1-5-24(27)34-29(35)20-4-3-13-32-16-20;27-17-8-6-16(7-9-17)19-12-22(25(31)35)32-21-11-15(5-10-18(19)21)14-34-23-4-2-1-3-20(23)33-24(34)13-26(28,29)30;24-16-6-4-15(5-7-16)18-11-21(22(25)30)28-20-10-14(3-8-17(18)20)12-29-13-27-19-2-1-9-26-23(19)29;1-13-24-8-9-26(13)12-14-2-7-17-18(15-3-5-16(22)6-4-15)11-20(21(23)27)25-19(17)10-14;21-20-24-7-8-26(20)11-12-1-6-15-16(13-2-4-14(22)5-3-13)10-18(19(23)27)25-17(15)9-12/h1-16H,17H2,(H2,31,36);1-12H,13-14H2,(H2,31,35);1-11,13H,12H2,(H2,25,30);2-11H,12H2,1H3,(H2,23,27);1-10H,11H2,(H2,23,27)
InChIKeyBEAAOZUWCKGBLM-UHFFFAOYSA-N
MW2090.57 g/mol
LogP22.91
Rot. Bonds22

About 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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

7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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 (PubChem CID 157319707) has the molecular formula C119H85ClF8N22O5 and a molecular weight of 2090.57 g/mol. Its IUPAC name is 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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.

Molecular Properties

Compound Name7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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
PubChem CID157319707
Molecular FormulaC119H85ClF8N22O5
Molecular Weight2090.57 g/mol
Exact Mass2088.66
IUPAC Name7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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
SMILESCc1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(-c4cccnc4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(CC(F)(F)F)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3Cl)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4cccnc43)cc2n1
InChIInChI=1S/C29H20FN5O.C26H18F4N4O.C23H16FN5O.C21H17FN4O.C20H14ClFN4O/c30-21-10-8-19(9-11-21)23-15-26(28(31)36)33-25-14-18(7-12-22(23)25)17-35-27-6-2-1-5-24(27)34-29(35)20-4-3-13-32-16-20;27-17-8-6-16(7-9-17)19-12-22(25(31)35)32-21-11-15(5-10-18(19)21)14-34-23-4-2-1-3-20(23)33-24(34)13-26(28,29)30;24-16-6-4-15(5-7-16)18-11-21(22(25)30)28-20-10-14(3-8-17(18)20)12-29-13-27-19-2-1-9-26-23(19)29;1-13-24-8-9-26(13)12-14-2-7-17-18(15-3-5-16(22)6-4-15)11-20(21(23)27)25-19(17)10-14;21-20-24-7-8-26(20)11-12-1-6-15-16(13-2-4-14(22)5-3-13)10-18(19(23)27)25-17(15)9-12/h1-16H,17H2,(H2,31,36);1-12H,13-14H2,(H2,31,35);1-11,13H,12H2,(H2,25,30);2-11H,12H2,1H3,(H2,23,27);1-10H,11H2,(H2,23,27)
InChIKeyBEAAOZUWCKGBLM-UHFFFAOYSA-N
XLogP22.91
TPSA394.78 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002090.57
LogP ≤ 522.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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?
The IUPAC name of 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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 157319707) is 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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.
What is the SMILES notation for 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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?
The canonical SMILES for 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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 is Cc1nccn1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(-c4cccnc4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(CC(F)(F)F)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3Cl)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4cccnc43)cc2n1.
What is the InChIKey of 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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?
The InChIKey is BEAAOZUWCKGBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN5O.C26H18F4N4O.C23H16FN5O.C21H17FN4O.C20H14ClFN4O/c30-21-10-8-19(9-11-21)23-15-26(28(31)36)33-25-14-18(7-12-22(23)25)17-35-27-6-2-1-5-24(27)34-29(35)20-4-3-13-32-16-20;27-17-8-6-16(7-9-17)19-12-22(25(31)35)32-21-11-15(5-10-18(19)21)14-34-23-4-2-1-3-20(23)33-24(34)13-26(28,29)30;24-16-6-4-15(5-7-16)18-11-21(22(25)30)28-20-10-14(3-8-17(18)20)12-29-13-27-19-2-1-9-26-23(19)29;1-13-24-8-9-26(13)12-14-2-7-17-18(15-3-5-16(22)6-4-15)11-20(21(23)27)25-19(17)10-14;21-20-24-7-8-26(20)11-12-1-6-15-16(13-2-4-14(22)5-3-13)10-18(19(23)27)25-17(15)9-12/h1-16H,17H2,(H2,31,36);1-12H,13-14H2,(H2,31,35);1-11,13H,12H2,(H2,25,30);2-11H,12H2,1H3,(H2,23,27);1-10H,11H2,(H2,23,27).
What are the key properties of 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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?
7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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 has a molecular weight of 2090.57 g/mol, XLogP of 22.91, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-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 is sourced from PubChem (CID 157319707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).