[2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol

C112H95Cl7N14O8S2 — CID 158593386

IUPAC[2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol
SMILESCOCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.CSc1nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(OCCN3CC3)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C30H26Cl2N4O2.C29H25Cl2N3O3.C27H21Cl2N3O2.C26H23ClN4OS2/c1-35-19-33-18-26(35)30(37,21-7-10-23(31)11-8-21)22-9-12-25-24(17-22)28(32)27(20-5-3-2-4-6-20)29(34-25)38-16-15-36-13-14-36;1-34-18-32-17-25(34)29(35,20-8-11-22(30)12-9-20)21-10-13-24-23(16-21)27(31)26(19-6-4-3-5-7-19)28(33-24)37-15-14-36-2;1-32-16-30-15-23(32)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(31-22)34-2)17-6-4-3-5-7-17;1-15-24(34-16(2)29-15)26(32,21-13-28-14-31(21)3)18-10-11-20-19(12-18)23(27)22(25(30-20)33-4)17-8-6-5-7-9-17/h2-12,17-19,37H,13-16H2,1H3;3-13,16-18,35H,14-15H2,1-2H3;3-16,33H,1-2H3;5-14,32H,1-4H3
InChIKeyHUSIZBQODJRJJI-UHFFFAOYSA-N
MW2077.39 g/mol
LogP24.78
Rot. Bonds26

About [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol

[2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol (PubChem CID 158593386) has the molecular formula C112H95Cl7N14O8S2 and a molecular weight of 2077.39 g/mol. Its IUPAC name is [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol
PubChem CID158593386
Molecular FormulaC112H95Cl7N14O8S2
Molecular Weight2077.39 g/mol
Exact Mass2072.47
IUPAC Name[2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol
SMILESCOCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.CSc1nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(OCCN3CC3)c(-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C30H26Cl2N4O2.C29H25Cl2N3O3.C27H21Cl2N3O2.C26H23ClN4OS2/c1-35-19-33-18-26(35)30(37,21-7-10-23(31)11-8-21)22-9-12-25-24(17-22)28(32)27(20-5-3-2-4-6-20)29(34-25)38-16-15-36-13-14-36;1-34-18-32-17-25(34)29(35,20-8-11-22(30)12-9-20)21-10-13-24-23(16-21)27(31)26(19-6-4-3-5-7-19)28(33-24)37-15-14-36-2;1-32-16-30-15-23(32)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(31-22)34-2)17-6-4-3-5-7-17;1-15-24(34-16(2)29-15)26(32,21-13-28-14-31(21)3)18-10-11-20-19(12-18)23(27)22(25(30-20)33-4)17-8-6-5-7-9-17/h2-12,17-19,37H,13-16H2,1H3;3-13,16-18,35H,14-15H2,1-2H3;3-16,33H,1-2H3;5-14,32H,1-4H3
InChIKeyHUSIZBQODJRJJI-UHFFFAOYSA-N
XLogP24.78
TPSA256.58 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002077.39
LogP ≤ 524.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol with MolForge

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Related Compounds

[2-(Azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
CID 157206955
[4-Chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(3-methyloxetan-3-yl)methoxy]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 157495710
[2-(Azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
CID 157568921
[4-Chloro-3-[[2-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[5-(1,1-difluoroethyl)thiophen-2-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(oxan-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(oxan-4-yl)methyl]-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carbonitrile
CID 157612456
[2-(Azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3,5-dimethylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 157803499
[2-(Azetidin-1-yl)-4-chloro-3-(2,2-difluoropropoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,6-dimethyl-3-pyridinyl)-[2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol
CID 157876919
(4-Chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
CID 158203630
[4-Chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
CID 158235098
1-[4-Chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane
CID 158236705
[4-Chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 158416072
[2-(Azetidin-1-yl)-4-chloro-3-(cyclopropylmethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[1-[4-(trifluoromethyl)piperidin-1-yl]ethenyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 158429120
6-[(1-Acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone
CID 158844439

Frequently Asked Questions

What is the IUPAC name of [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol (CID 158593386) is [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol is COCCOc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.CSc1nc2ccc(C(O)(c3sc(C)nc3C)c3cncn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(OCCN3CC3)c(-c3ccccc3)c(Cl)c2c1.
What is the InChIKey of [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is HUSIZBQODJRJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N4O2.C29H25Cl2N3O3.C27H21Cl2N3O2.C26H23ClN4OS2/c1-35-19-33-18-26(35)30(37,21-7-10-23(31)11-8-21)22-9-12-25-24(17-22)28(32)27(20-5-3-2-4-6-20)29(34-25)38-16-15-36-13-14-36;1-34-18-32-17-25(34)29(35,20-8-11-22(30)12-9-20)21-10-13-24-23(16-21)27(31)26(19-6-4-3-5-7-19)28(33-24)37-15-14-36-2;1-32-16-30-15-23(32)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(31-22)34-2)17-6-4-3-5-7-17;1-15-24(34-16(2)29-15)26(32,21-13-28-14-31(21)3)18-10-11-20-19(12-18)23(27)22(25(30-20)33-4)17-8-6-5-7-9-17/h2-12,17-19,37H,13-16H2,1H3;3-13,16-18,35H,14-15H2,1-2H3;3-16,33H,1-2H3;5-14,32H,1-4H3.
What are the key properties of [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol?
[2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 2077.39 g/mol, XLogP of 24.78, 26 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(aziridin-1-yl)ethoxy]-4-chloro-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-(2-methoxyethoxy)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-2-methylsulfanyl-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 158593386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).