N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

C141H160Cl5F6N23O14 — CID 157394097

About N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 157394097) has the molecular formula C141H160Cl5F6N23O14 and a molecular weight of 2692.23 g/mol. Its IUPAC name is N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

• Compound Name: N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
• PubChem CID: 157394097
• Molecular Formula: C141H160Cl5F6N23O14
• Molecular Weight: 2692.23 g/mol
• Exact Mass: 2688.09
• IUPAC Name: N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
• SMILES: CCCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CC1CCC(C)(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(=O)C1(C)CCC1.[C-]#[N+]c1ccc(C(O)c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)cc1
• InChI: InChI=1S/C32H41ClN4O4.C30H29ClF6N4O2.C28H33ClN6O3.C26H31ClN6O3.C25H26ClN3O2/c1-20-11-13-36(14-12-20)19-26-28(33)25-15-22(9-10-27(25)35-29(26)40-6)32(39,23-8-7-21(2)34-16-23)24-17-37(18-24)30(38)41-31(3,4)5;1-27(30(35,36)37)9-6-17(7-10-27)12-21-25(31)20-13-18(4-5-22(20)40-26(21)43-3)28(42,24-15-38-16-41(24)2)19-8-11-39-23(14-19)29(32,33)34;1-16-30-14-22(34(16)4)28(37,23-15-31-17(2)35(23)5)18-8-9-21-19(12-18)24(29)20(25(33-21)38-6)13-32-26(36)27(3)10-7-11-27;1-7-8-23(34)30-12-19-24(27)18-11-17(9-10-20(18)31-25(19)36-6)26(35,21-13-28-15(2)32(21)4)22-14-29-16(3)33(22)5;1-16-10-12-29(13-11-16)15-21-23(26)20-14-18(6-9-22(20)28-25(21)31-3)24(30)17-4-7-19(27-2)8-5-17/h7-10,15-16,20,24,39H,11-14,17-19H2,1-6H3;4-5,8,11,13-17,42H,6-7,9-10,12H2,1-3H3;8-9,12,14-15,37H,7,10-11,13H2,1-6H3,(H,32,36);9-11,13-14,35H,7-8,12H2,1-6H3,(H,30,34);4-9,14,16,24,30H,10-13,15H2,1,3H3
• InChIKey: BMJBZNIJJTWJMV-UHFFFAOYSA-N
• XLogP: 27.08
• TPSA: 425.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2692.23
LogP ≤ 5	27.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The IUPAC name of N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 157394097) is N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

What is the SMILES notation for N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The canonical SMILES for N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is CCCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3)C3CN(C(=O)OC(C)(C)C)C3)cc2c(Cl)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CC1CCC(C)(C(F)(F)F)CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(=O)C1(C)CCC1.[C-]#[N+]c1ccc(C(O)c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)cc1.

What is the InChIKey of N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The InChIKey is BMJBZNIJJTWJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41ClN4O4.C30H29ClF6N4O2.C28H33ClN6O3.C26H31ClN6O3.C25H26ClN3O2/c1-20-11-13-36(14-12-20)19-26-28(33)25-15-22(9-10-27(25)35-29(26)40-6)32(39,23-8-7-21(2)34-16-23)24-17-37(18-24)30(38)41-31(3,4)5;1-27(30(35,36)37)9-6-17(7-10-27)12-21-25(31)20-13-18(4-5-22(20)40-26(21)43-3)28(42,24-15-38-16-41(24)2)19-8-11-39-23(14-19)29(32,33)34;1-16-30-14-22(34(16)4)28(37,23-15-31-17(2)35(23)5)18-8-9-21-19(12-18)24(29)20(25(33-21)38-6)13-32-26(36)27(3)10-7-11-27;1-7-8-23(34)30-12-19-24(27)18-11-17(9-10-20(18)31-25(19)36-6)26(35,21-13-28-15(2)32(21)4)22-14-29-16(3)33(22)5;1-16-10-12-29(13-11-16)15-21-23(26)20-14-18(6-9-22(20)28-25(21)31-3)24(30)17-4-7-19(27-2)8-5-17/h7-10,15-16,20,24,39H,11-14,17-19H2,1-6H3;4-5,8,11,13-17,42H,6-7,9-10,12H2,1-3H3;8-9,12,14-15,37H,7,10-11,13H2,1-6H3,(H,32,36);9-11,13-14,35H,7-8,12H2,1-6H3,(H,30,34);4-9,14,16,24,30H,10-13,15H2,1,3H3.

What are the key properties of N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 2692.23 g/mol, XLogP of 27.08, 32 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidine-1-carboxylate;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[[4-methyl-4-(trifluoromethyl)cyclohexyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 157394097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).