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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile

C162H184Cl5F2N35O15 — CID 157411235

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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile

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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile (PubChem CID 157411235) has the molecular formula C162H184Cl5F2N35O15 and a molecular weight of 3076.74 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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile.

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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile
• PubChem CID: 157411235
• Molecular Formula: C162H184Cl5F2N35O15
• Molecular Weight: 3076.74 g/mol
• Exact Mass: 3072.31
• 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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile
• SMILES: CCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.CCCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C#N)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(=O)C1(C)CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCC(C)(F)F.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)c2cncn2C)cc1
• InChI: InChI=1S/C29H30ClN5O2.C29H32N6O2.C27H31ClN6O3.C26H31ClF2N6O2.C26H31ClN6O3.C25H29ClN6O3/c1-19-11-13-35(14-12-19)17-24-27(30)23-15-21(7-10-25(23)33-28(24)37-4)29(36,26-16-32-18-34(26)3)20-5-8-22(31-2)9-6-20;1-19-9-11-35(12-10-19)17-25-24(14-30)23-13-21(7-8-26(23)33-28(25)37-4)29(36,27-16-31-18-34(27)3)22-6-5-20(2)32-15-22;1-15-29-13-21(33(15)4)27(36,22-14-30-16(2)34(22)5)17-7-8-20-18(11-17)23(28)19(24(32-20)37-6)12-31-25(35)26(3)9-10-26;1-15-31-13-21(34(15)4)26(36,22-14-32-16(2)35(22)5)17-7-8-20-18(11-17)23(27)19(24(33-20)37-6)12-30-10-9-25(3,28)29;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;1-7-22(33)29-11-18-23(26)17-10-16(8-9-19(17)30-24(18)35-6)25(34,20-12-27-14(2)31(20)4)21-13-28-15(3)32(21)5/h5-10,15-16,18-19,36H,11-14,17H2,1,3-4H3;5-8,13,15-16,18-19,36H,9-12,17H2,1-4H3;7-8,11,13-14,36H,9-10,12H2,1-6H3,(H,31,35);7-8,11,13-14,30,36H,9-10,12H2,1-6H3;9-11,13-14,35H,7-8,12H2,1-6H3,(H,30,34);8-10,12-13,34H,7,11H2,1-6H3,(H,29,33)
• InChIKey: BOHUACLYQSCWMO-UHFFFAOYSA-N
• XLogP: 24.82
• TPSA: 579.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 43
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3076.74
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile?

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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile (CID 157411235) 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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile.

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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile?

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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile is CCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.CCCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C#N)c1CN1CCC(C)CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNC(=O)C1(C)CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCC(C)(F)F.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)c2cncn2C)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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile?

The InChIKey is BOHUACLYQSCWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN5O2.C29H32N6O2.C27H31ClN6O3.C26H31ClF2N6O2.C26H31ClN6O3.C25H29ClN6O3/c1-19-11-13-35(14-12-19)17-24-27(30)23-15-21(7-10-25(23)33-28(24)37-4)29(36,26-16-32-18-34(26)3)20-5-8-22(31-2)9-6-20;1-19-9-11-35(12-10-19)17-25-24(14-30)23-13-21(7-8-26(23)33-28(25)37-4)29(36,27-16-31-18-34(27)3)22-6-5-20(2)32-15-22;1-15-29-13-21(33(15)4)27(36,22-14-30-16(2)34(22)5)17-7-8-20-18(11-17)23(28)19(24(32-20)37-6)12-31-25(35)26(3)9-10-26;1-15-31-13-21(34(15)4)26(36,22-14-32-16(2)35(22)5)17-7-8-20-18(11-17)23(27)19(24(33-20)37-6)12-30-10-9-25(3,28)29;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;1-7-22(33)29-11-18-23(26)17-10-16(8-9-19(17)30-24(18)35-6)25(34,20-12-27-14(2)31(20)4)21-13-28-15(3)32(21)5/h5-10,15-16,18-19,36H,11-14,17H2,1,3-4H3;5-8,13,15-16,18-19,36H,9-12,17H2,1-4H3;7-8,11,13-14,36H,9-10,12H2,1-6H3,(H,31,35);7-8,11,13-14,30,36H,9-10,12H2,1-6H3;9-11,13-14,35H,7-8,12H2,1-6H3,(H,30,34);8-10,12-13,34H,7,11H2,1-6H3,(H,29,33).

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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile?

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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile has a molecular weight of 3076.74 g/mol, XLogP of 24.82, 43 rotatable bonds, 10 hydrogen bond donors, and 46 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-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile is sourced from PubChem (CID 157411235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).