[2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol

C186H174Cl4F15N27O13 — CID 158045848

IUPAC[2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccccc1.CCOc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(Oc4ccc(Cl)cc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C32H30ClF3N4O2.2C32H32F3N5O2.C31H28ClF3N4O2.C30H27F3N4O3.C29H25Cl2N5O2/c1-5-40(6-2)30-29(42-24-14-7-20(3)8-15-24)28(32(34,35)36)25-17-22(11-16-26(25)38-30)31(41,27-18-37-19-39(27)4)21-9-12-23(33)13-10-21;2*1-6-40(7-2)30-29(42-24-13-8-20(3)9-14-24)28(32(33,34)35)25-16-22(12-15-26(25)38-30)31(41,27-18-36-19-39(27)5)23-11-10-21(4)37-17-23;1-4-39(5-2)29-28(41-23-9-7-6-8-10-23)27(31(33,34)35)24-17-21(13-16-25(24)37-29)30(40,26-18-36-19-38(26)3)20-11-14-22(32)15-12-20;1-5-39-28-27(40-22-11-6-18(2)7-12-22)26(30(31,32)33)23-14-20(10-13-24(23)36-28)29(38,25-16-34-17-37(25)4)21-9-8-19(3)35-15-21;1-18-4-5-20(15-33-18)29(37,25-16-32-17-35(25)2)19-6-11-24-23(14-19)26(31)27(28(34-24)36-12-3-13-36)38-22-9-7-21(30)8-10-22/h7-19,41H,5-6H2,1-4H3;2*8-19,41H,6-7H2,1-5H3;6-19,40H,4-5H2,1-3H3;6-17,38H,5H2,1-4H3;4-11,14-17,37H,3,12-13H2,1-2H3
InChIKeyFIXBRVSQHVUQEO-UHFFFAOYSA-N
MW3422.40 g/mol
LogP42.02
Rot. Bonds45

About [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol

[2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 158045848) has the molecular formula C186H174Cl4F15N27O13 and a molecular weight of 3422.40 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
PubChem CID158045848
Molecular FormulaC186H174Cl4F15N27O13
Molecular Weight3422.40 g/mol
Exact Mass3418.23
IUPAC Name[2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccccc1.CCOc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(Oc4ccc(Cl)cc4)c(Cl)c3c2)c2cncn2C)cn1
InChIInChI=1S/C32H30ClF3N4O2.2C32H32F3N5O2.C31H28ClF3N4O2.C30H27F3N4O3.C29H25Cl2N5O2/c1-5-40(6-2)30-29(42-24-14-7-20(3)8-15-24)28(32(34,35)36)25-17-22(11-16-26(25)38-30)31(41,27-18-37-19-39(27)4)21-9-12-23(33)13-10-21;2*1-6-40(7-2)30-29(42-24-13-8-20(3)9-14-24)28(32(33,34)35)25-16-22(12-15-26(25)38-30)31(41,27-18-36-19-39(27)5)23-11-10-21(4)37-17-23;1-4-39(5-2)29-28(41-23-9-7-6-8-10-23)27(31(33,34)35)24-17-21(13-16-25(24)37-29)30(40,26-18-36-19-38(26)3)20-11-14-22(32)15-12-20;1-5-39-28-27(40-22-11-6-18(2)7-12-22)26(30(31,32)33)23-14-20(10-13-24(23)36-28)29(38,25-16-34-17-37(25)4)21-9-8-19(3)35-15-21;1-18-4-5-20(15-33-18)29(37,25-16-32-17-35(25)2)19-6-11-24-23(14-19)26(31)27(28(34-24)36-12-3-13-36)38-22-9-7-21(30)8-10-22/h7-19,41H,5-6H2,1-4H3;2*8-19,41H,6-7H2,1-5H3;6-19,40H,4-5H2,1-3H3;6-17,38H,5H2,1-4H3;4-11,14-17,37H,3,12-13H2,1-2H3
InChIKeyFIXBRVSQHVUQEO-UHFFFAOYSA-N
XLogP42.02
TPSA438.01 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003422.40
LogP ≤ 542.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Analyze [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol with MolForge

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Launch Full Analysis

Related Compounds

(2-(Azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 86715463
(4-Chloro-2-ethoxy-3-(4-fluorophenoxy)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74223889
[3-(4-Chlorophenoxy)-2-ethoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 74223947
[4-Chloro-3-(4-chlorophenoxy)-2-(3-propan-2-yloxyazetidin-1-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 118005475
[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-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxy-3-(2,2,2-trifluoroethoxy)quinoline-4-carbonitrile
CID 118022521
[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
[4-Chloro-3-[[3-[1-[4-chloro-6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-propan-2-yloxyquinolin-2-yl]azetidin-3-yl]-2,2-difluorocyclopropyl]methoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 129314877
[4-Chloro-3-(4-chlorophenoxy)-2-[3-(1-iodoethoxy)azetidin-1-yl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 153234870
[2-(azetidin-1-yl)-4-chloro-3-phenylmethoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-tert-butyl-4-chloro-2-[(E)-2-phenylethenyl]quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol;(3-tert-butyl-2,4-dichloroquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;(4-chloro-3-cyclohexyl-2-pyridin-3-ylquinolin-6-yl)-(3-chlorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)ethyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157054122
[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-(2,2-difluoropropoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-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-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157068483

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol (CID 158045848) is [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol is CCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccccc1.CCOc1nc2ccc(C(O)(c3ccc(C)nc3)c3cncn3C)cc2c(C(F)(F)F)c1Oc1ccc(C)cc1.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(Oc4ccc(Cl)cc4)c(Cl)c3c2)c2cncn2C)cn1.
What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is FIXBRVSQHVUQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClF3N4O2.2C32H32F3N5O2.C31H28ClF3N4O2.C30H27F3N4O3.C29H25Cl2N5O2/c1-5-40(6-2)30-29(42-24-14-7-20(3)8-15-24)28(32(34,35)36)25-17-22(11-16-26(25)38-30)31(41,27-18-37-19-39(27)4)21-9-12-23(33)13-10-21;2*1-6-40(7-2)30-29(42-24-13-8-20(3)9-14-24)28(32(33,34)35)25-16-22(12-15-26(25)38-30)31(41,27-18-36-19-39(27)5)23-11-10-21(4)37-17-23;1-4-39(5-2)29-28(41-23-9-7-6-8-10-23)27(31(33,34)35)24-17-21(13-16-25(24)37-29)30(40,26-18-36-19-38(26)3)20-11-14-22(32)15-12-20;1-5-39-28-27(40-22-11-6-18(2)7-12-22)26(30(31,32)33)23-14-20(10-13-24(23)36-28)29(38,25-16-34-17-37(25)4)21-9-8-19(3)35-15-21;1-18-4-5-20(15-33-18)29(37,25-16-32-17-35(25)2)19-6-11-24-23(14-19)26(31)27(28(34-24)36-12-3-13-36)38-22-9-7-21(30)8-10-22/h7-19,41H,5-6H2,1-4H3;2*8-19,41H,6-7H2,1-5H3;6-19,40H,4-5H2,1-3H3;6-17,38H,5H2,1-4H3;4-11,14-17,37H,3,12-13H2,1-2H3.
What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol?
[2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 3422.40 g/mol, XLogP of 42.02, 45 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[2-(diethylamino)-3-phenoxy-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;bis([2-(diethylamino)-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol);[2-ethoxy-3-(4-methylphenoxy)-4-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 158045848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).