[2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol

C165H140Cl8F8N29O12+ — CID 160555869

IUPAC[2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
SMILESCOCCN(C)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.CON(C)c1nc2ccc(C(O)(C3=[N+](C)C=NC3)c3ccc(Cl)nc3)cc2c(Cl)c1-c1ccccc1.CON(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(N(C)OC)c1-c1ccccc1.COc1nc2ccc(C(O)(c3ncccn3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(OCC(C)(F)F)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ncccn1
InChIInChI=1S/C30H27ClF3N5O2.C30H30ClN5O3.C29H22ClF5N4O2.C27H24Cl2N5O2.C25H20ClN5O2.C24H17Cl2N5O/c1-38(13-14-41-3)28-26(19-7-5-4-6-8-19)27(31)22-15-20(9-11-23(22)37-28)29(40,25-17-35-18-39(25)2)21-10-12-24(36-16-21)30(32,33)34;1-34-19-32-18-26(34)30(37,21-11-14-23(31)15-12-21)22-13-16-25-24(17-22)28(35(2)38-4)27(20-9-7-6-8-10-20)29(33-25)36(3)39-5;1-27(31,32)15-41-26-24(17-6-4-3-5-7-17)25(30)20-12-18(8-10-21(20)38-26)28(40,23-14-36-16-39(23)2)19-9-11-22(37-13-19)29(33,34)35;1-33-16-30-15-22(33)27(35,19-10-12-23(28)31-14-19)18-9-11-21-20(13-18)25(29)24(17-7-5-4-6-8-17)26(32-21)34(2)36-3;1-31-15-27-14-20(31)25(32,24-28-11-6-12-29-24)17-9-10-19-18(13-17)22(26)21(23(30-19)33-2)16-7-4-3-5-8-16;1-31-14-27-13-19(31)24(32,23-28-10-5-11-29-23)16-8-9-18-17(12-16)21(25)20(22(26)30-18)15-6-3-2-4-7-15/h4-12,15-18,40H,13-14H2,1-3H3;6-19,37H,1-5H3;3-14,16,40H,15H2,1-2H3;4-14,16,35H,15H2,1-3H3;3-15,32H,1-2H3;2-14,32H,1H3/q;;;+1;;
InChIKeyKAORZIHVVWWRPB-UHFFFAOYSA-N
MW3156.73 g/mol
LogP33.01
Rot. Bonds38

About [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol

[2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol (PubChem CID 160555869) has the molecular formula C165H140Cl8F8N29O12+ and a molecular weight of 3156.73 g/mol. Its IUPAC name is [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name[2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
PubChem CID160555869
Molecular FormulaC165H140Cl8F8N29O12+
Molecular Weight3156.73 g/mol
Exact Mass3150.86
IUPAC Name[2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
SMILESCOCCN(C)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.CON(C)c1nc2ccc(C(O)(C3=[N+](C)C=NC3)c3ccc(Cl)nc3)cc2c(Cl)c1-c1ccccc1.CON(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(N(C)OC)c1-c1ccccc1.COc1nc2ccc(C(O)(c3ncccn3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(OCC(C)(F)F)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ncccn1
InChIInChI=1S/C30H27ClF3N5O2.C30H30ClN5O3.C29H22ClF5N4O2.C27H24Cl2N5O2.C25H20ClN5O2.C24H17Cl2N5O/c1-38(13-14-41-3)28-26(19-7-5-4-6-8-19)27(31)22-15-20(9-11-23(22)37-28)29(40,25-17-35-18-39(25)2)21-10-12-24(36-16-21)30(32,33)34;1-34-19-32-18-26(34)30(37,21-11-14-23(31)15-12-21)22-13-16-25-24(17-22)28(35(2)38-4)27(20-9-7-6-8-10-20)29(33-25)36(3)39-5;1-27(31,32)15-41-26-24(17-6-4-3-5-7-17)25(30)20-12-18(8-10-21(20)38-26)28(40,23-14-36-16-39(23)2)19-9-11-22(37-13-19)29(33,34)35;1-33-16-30-15-22(33)27(35,19-10-12-23(28)31-14-19)18-9-11-21-20(13-18)25(29)24(17-7-5-4-6-8-17)26(32-21)34(2)36-3;1-31-15-27-14-20(31)25(32,24-28-11-6-12-29-24)17-9-10-19-18(13-17)22(26)21(23(30-19)33-2)16-7-4-3-5-8-16;1-31-14-27-13-19(31)24(32,23-28-10-5-11-29-23)16-8-9-18-17(12-16)21(25)20(22(26)30-18)15-6-3-2-4-7-15/h4-12,15-18,40H,13-14H2,1-3H3;6-19,37H,1-5H3;3-14,16,40H,15H2,1-2H3;4-14,16,35H,15H2,1-3H3;3-15,32H,1-2H3;2-14,32H,1H3/q;;;+1;;
InChIKeyKAORZIHVVWWRPB-UHFFFAOYSA-N
XLogP33.01
TPSA461.76 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003156.73
LogP ≤ 533.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol with MolForge

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Launch Full Analysis

Related Compounds

[4-Chloro-3-phenyl-2-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118005596
[4-Chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118022862
[2-[[5-[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]oxy-1-methylpiperidin-2-yl]methoxy]-4-chloro-3-[(2,2-difluorocyclopropyl)methoxy]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035464
(4-Chlorophenyl)-[2,4-dichloro-8-[[5-[[4-chloro-2-methoxy-3-(1-methylpiperidin-3-yl)oxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-1-methylimidazol-2-yl]methyl]-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 129035486
[3-[[[3-[[6-[Bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]quinolin-2-yl]oxymethyl]-5-(trifluoromethyl)cyclohexyl]amino]methyl]-4-chloro-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 129035502
[3-[[[3-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-3-[[[(2S)-1,1,1-trifluoropropan-2-yl]amino]methyl]quinolin-2-yl]oxymethyl]-5-(trifluoromethyl)cyclohexyl]amino]methyl]-4-chloro-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 137481829
2-[[1-[4-[[4-Chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(2-methoxyethoxy)quinolin-3-yl]methyl]phenyl]pyrazol-3-yl]methoxy]-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 146259702
[3-[[4-[4-[[[4-Chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]-(2-methoxyethyl)amino]methyl]pyrazol-1-yl]phenyl]methyl]-2,4-bis[methoxy(methyl)amino]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 146259762
Azetidin-3-yl-[4-chloro-2-[[1-[4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-[2-methoxyethyl(methyl)amino]quinolin-3-yl]methyl]phenyl]pyrazol-3-yl]methoxy]-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethylpyridin-3-yl)methanol
CID 146259769
[4-Chloro-3-[[4-[4-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 146259770
[4-Chloro-3-[[4-[3-[[4-chloro-3-[[4-(3,4-dihydropyrazol-2-yl)phenyl]methyl]-6-[hydroxy-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethyl]quinolin-2-yl]oxymethyl]pyrazol-1-yl]phenyl]methyl]-2-(dimethylamino)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 146259870
[5-[[5-[[3-Benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-2-ylmethyl]imidazol-1-yl]methyl]pyridin-2-yl]-[3-benzyl-4-methoxy-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 146259924

Frequently Asked Questions

What is the IUPAC name of [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?
The IUPAC name of [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol (CID 160555869) is [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol.
What is the SMILES notation for [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?
The canonical SMILES for [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol is COCCN(C)c1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.CON(C)c1nc2ccc(C(O)(C3=[N+](C)C=NC3)c3ccc(Cl)nc3)cc2c(Cl)c1-c1ccccc1.CON(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(N(C)OC)c1-c1ccccc1.COc1nc2ccc(C(O)(c3ncccn3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(OCC(C)(F)F)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ncccn1.
What is the InChIKey of [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?
The InChIKey is KAORZIHVVWWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClF3N5O2.C30H30ClN5O3.C29H22ClF5N4O2.C27H24Cl2N5O2.C25H20ClN5O2.C24H17Cl2N5O/c1-38(13-14-41-3)28-26(19-7-5-4-6-8-19)27(31)22-15-20(9-11-23(22)37-28)29(40,25-17-35-18-39(25)2)21-10-12-24(36-16-21)30(32,33)34;1-34-19-32-18-26(34)30(37,21-11-14-23(31)15-12-21)22-13-16-25-24(17-22)28(35(2)38-4)27(20-9-7-6-8-10-20)29(33-25)36(3)39-5;1-27(31,32)15-41-26-24(17-6-4-3-5-7-17)25(30)20-12-18(8-10-21(20)38-26)28(40,23-14-36-16-39(23)2)19-9-11-22(37-13-19)29(33,34)35;1-33-16-30-15-22(33)27(35,19-10-12-23(28)31-14-19)18-9-11-21-20(13-18)25(29)24(17-7-5-4-6-8-17)26(32-21)34(2)36-3;1-31-15-27-14-20(31)25(32,24-28-11-6-12-29-24)17-9-10-19-18(13-17)22(26)21(23(30-19)33-2)16-7-4-3-5-8-16;1-31-14-27-13-19(31)24(32,23-28-10-5-11-29-23)16-8-9-18-17(12-16)21(25)20(22(26)30-18)15-6-3-2-4-7-15/h4-12,15-18,40H,13-14H2,1-3H3;6-19,37H,1-5H3;3-14,16,40H,15H2,1-2H3;4-14,16,35H,15H2,1-3H3;3-15,32H,1-2H3;2-14,32H,1H3/q;;;+1;;.
What are the key properties of [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?
[2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol has a molecular weight of 3156.73 g/mol, XLogP of 33.01, 38 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2,2-difluoropropoxy)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[2-methoxyethyl(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(6-chloro-3-pyridinyl)-(1-methyl-4H-imidazol-1-ium-5-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol is sourced from PubChem (CID 160555869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).