N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol

C161H177Cl6F7N34O14 — CID 157354430

IUPACN-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCCCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCn2nc(C)nc2C1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCC(C)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCOCC(C)(F)F.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)cc1
InChIInChI=1S/C29H30ClN5O2.C28H26ClF3N8O2.C27H33ClF2N6O3.C26H31ClF2N6O2.C26H31ClN6O3.C25H26ClN3O2/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;1-16-35-24-14-39(8-9-40(24)37-16)13-20-25(29)19-10-17(4-5-21(19)36-26(20)42-3)27(41,23-12-33-15-38(23)2)18-6-7-34-22(11-18)28(30,31)32;1-16-32-13-22(35(16)4)27(37,23-14-33-17(2)36(23)5)18-7-8-21-19(11-18)24(28)20(25(34-21)38-6)12-31-9-10-39-15-26(3,29)30;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;1-16-10-12-29(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/h5-10,15-16,18-19,36H,11-14,17H2,1,3-4H3;4-7,10-12,15,41H,8-9,13-14H2,1-3H3;7-8,11,13-14,31,37H,9-10,12,15H2,1-6H3;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);4-9,14,16,24,30H,10-13,15H2,1,3H3
InChIKeyBHXLRLXOICWWEP-UHFFFAOYSA-N
MW3158.11 g/mol
LogP27.81
Rot. Bonds45

About N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol

N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 157354430) has the molecular formula C161H177Cl6F7N34O14 and a molecular weight of 3158.11 g/mol. Its IUPAC name is N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound NameN-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID157354430
Molecular FormulaC161H177Cl6F7N34O14
Molecular Weight3158.11 g/mol
Exact Mass3153.22
IUPAC NameN-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCCCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCn2nc(C)nc2C1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCC(C)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCOCC(C)(F)F.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)cc1
InChIInChI=1S/C29H30ClN5O2.C28H26ClF3N8O2.C27H33ClF2N6O3.C26H31ClF2N6O2.C26H31ClN6O3.C25H26ClN3O2/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;1-16-35-24-14-39(8-9-40(24)37-16)13-20-25(29)19-10-17(4-5-21(19)36-26(20)42-3)27(41,23-12-33-15-38(23)2)18-6-7-34-22(11-18)28(30,31)32;1-16-32-13-22(35(16)4)27(37,23-14-33-17(2)36(23)5)18-7-8-21-19(11-18)24(28)20(25(34-21)38-6)12-31-9-10-39-15-26(3,29)30;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;1-16-10-12-29(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/h5-10,15-16,18-19,36H,11-14,17H2,1,3-4H3;4-7,10-12,15,41H,8-9,13-14H2,1-3H3;7-8,11,13-14,31,37H,9-10,12,15H2,1-6H3;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);4-9,14,16,24,30H,10-13,15H2,1,3H3
InChIKeyBHXLRLXOICWWEP-UHFFFAOYSA-N
XLogP27.81
TPSA521.09 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds45
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003158.11
LogP ≤ 527.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol with MolForge

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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;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol (CID 157354430) is N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol is CCCC(=O)NCc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1CN1CCn2nc(C)nc2C1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCC(C)(F)F.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CNCCOCC(C)(F)F.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(CN4CCC(C)CC4)c(Cl)c3c2)c2cncn2C)cc1.[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;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is BHXLRLXOICWWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN5O2.C28H26ClF3N8O2.C27H33ClF2N6O3.C26H31ClF2N6O2.C26H31ClN6O3.C25H26ClN3O2/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;1-16-35-24-14-39(8-9-40(24)37-16)13-20-25(29)19-10-17(4-5-21(19)36-26(20)42-3)27(41,23-12-33-15-38(23)2)18-6-7-34-22(11-18)28(30,31)32;1-16-32-13-22(35(16)4)27(37,23-14-33-17(2)36(23)5)18-7-8-21-19(11-18)24(28)20(25(34-21)38-6)12-31-9-10-39-15-26(3,29)30;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;1-16-10-12-29(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/h5-10,15-16,18-19,36H,11-14,17H2,1,3-4H3;4-7,10-12,15,41H,8-9,13-14H2,1-3H3;7-8,11,13-14,31,37H,9-10,12,15H2,1-6H3;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);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;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol?
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 3158.11 g/mol, XLogP of 27.81, 45 rotatable bonds, 9 hydrogen bond donors, and 45 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;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 157354430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).