[2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol

C112H89Cl5F9N17O4 — CID 158982398

IUPAC[2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol
SMILESCc1ccc(-c2c(Cl)nc3c(C)cc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c2Cl)cc1.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.Cc1cccc(-c2c(Cl)nc3c(C)cc(C(O)(c4ccc(C)nc4)c4cncn4C)cc3c2Cl)c1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1)c1ccccn1
InChIInChI=1S/C29H26ClN5O.C28H21Cl2F3N4O.C28H24Cl2N4O.C27H18F6N4O/c1-19-9-10-22(16-32-19)29(36,25-17-31-18-34(25)2)21-11-12-24-23(15-21)27(30)26(20-7-4-3-5-8-20)28(33-24)35-13-6-14-35;1-15-4-6-17(7-5-15)23-24(29)20-11-19(10-16(2)25(20)36-26(23)30)27(38,22-13-34-14-37(22)3)18-8-9-21(35-12-18)28(31,32)33;1-16-6-5-7-19(10-16)24-25(29)22-12-21(11-17(2)26(22)33-27(24)30)28(35,23-14-31-15-34(23)4)20-9-8-18(3)32-13-20;1-37-15-34-14-21(37)25(38,20-9-5-6-12-35-20)17-10-11-19-18(13-17)23(26(28,29)30)22(16-7-3-2-4-8-16)24(36-19)27(31,32)33/h3-5,7-12,15-18,36H,6,13-14H2,1-2H3;4-14,38H,1-3H3;5-15,35H,1-4H3;2-15,38H,1H3
InChIKeyJPEABSCQBVWDBW-UHFFFAOYSA-N
MW2085.31 g/mol
LogP25.64
Rot. Bonds17

About [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol

[2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol (PubChem CID 158982398) has the molecular formula C112H89Cl5F9N17O4 and a molecular weight of 2085.31 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol
PubChem CID158982398
Molecular FormulaC112H89Cl5F9N17O4
Molecular Weight2085.31 g/mol
Exact Mass2081.56
IUPAC Name[2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol
SMILESCc1ccc(-c2c(Cl)nc3c(C)cc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c2Cl)cc1.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.Cc1cccc(-c2c(Cl)nc3c(C)cc(C(O)(c4ccc(C)nc4)c4cncn4C)cc3c2Cl)c1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1)c1ccccn1
InChIInChI=1S/C29H26ClN5O.C28H21Cl2F3N4O.C28H24Cl2N4O.C27H18F6N4O/c1-19-9-10-22(16-32-19)29(36,25-17-31-18-34(25)2)21-11-12-24-23(15-21)27(30)26(20-7-4-3-5-8-20)28(33-24)35-13-6-14-35;1-15-4-6-17(7-5-15)23-24(29)20-11-19(10-16(2)25(20)36-26(23)30)27(38,22-13-34-14-37(22)3)18-8-9-21(35-12-18)28(31,32)33;1-16-6-5-7-19(10-16)24-25(29)22-12-21(11-17(2)26(22)33-27(24)30)28(35,23-14-31-15-34(23)4)20-9-8-18(3)32-13-20;1-37-15-34-14-21(37)25(38,20-9-5-6-12-35-20)17-10-11-19-18(13-17)23(26(28,29)30)22(16-7-3-2-4-8-16)24(36-19)27(31,32)33/h3-5,7-12,15-18,36H,6,13-14H2,1-2H3;4-14,38H,1-3H3;5-15,35H,1-4H3;2-15,38H,1H3
InChIKeyJPEABSCQBVWDBW-UHFFFAOYSA-N
XLogP25.64
TPSA258.56 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002085.31
LogP ≤ 525.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol with MolForge

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Related Compounds

racemic (2-azetidin-1-yl-4-chloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl) [6-(trifluoromethyl)pyridin-3-yl]methanol
CID 117868449
(2,4-Dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl) [6-(trifluoromethyl) pyridin-3-yl]methanol
CID 117868534
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)pyridin-4-yl]methanol
CID 117869707
racemic (3-(4-(1H-pyrazol-1-yl)benzyl)-2-(azetidin-1-yl)-4-chloroquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221074
(2-(Azetidin-1-yl)-4-chloro-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221331
US10201546, Example 139a
CID 118021919
US10201546, Example 144
CID 118022863
US10201546, Example 139b
CID 138805845
US10201546, Example 139c
CID 138805846
US10201546, Example 239
CID 118022895
US10201546, Example 140a
CID 118022946
US10201546, Example 140c
CID 138805848

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol?
The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol (CID 158982398) is [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol is Cc1ccc(-c2c(Cl)nc3c(C)cc(C(O)(c4ccc(C(F)(F)F)nc4)c4cncn4C)cc3c2Cl)cc1.Cc1ccc(C(O)(c2ccc3nc(N4CCC4)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.Cc1cccc(-c2c(Cl)nc3c(C)cc(C(O)(c4ccc(C)nc4)c4cncn4C)cc3c2Cl)c1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1)c1ccccn1.
What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol?
The InChIKey is JPEABSCQBVWDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN5O.C28H21Cl2F3N4O.C28H24Cl2N4O.C27H18F6N4O/c1-19-9-10-22(16-32-19)29(36,25-17-31-18-34(25)2)21-11-12-24-23(15-21)27(30)26(20-7-4-3-5-8-20)28(33-24)35-13-6-14-35;1-15-4-6-17(7-5-15)23-24(29)20-11-19(10-16(2)25(20)36-26(23)30)27(38,22-13-34-14-37(22)3)18-8-9-21(35-12-18)28(31,32)33;1-16-6-5-7-19(10-16)24-25(29)22-12-21(11-17(2)26(22)33-27(24)30)28(35,23-14-31-15-34(23)4)20-9-8-18(3)32-13-20;1-37-15-34-14-21(37)25(38,20-9-5-6-12-35-20)17-10-11-19-18(13-17)23(26(28,29)30)22(16-7-3-2-4-8-16)24(36-19)27(31,32)33/h3-5,7-12,15-18,36H,6,13-14H2,1-2H3;4-14,38H,1-3H3;5-15,35H,1-4H3;2-15,38H,1H3.
What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol?
[2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol has a molecular weight of 2085.31 g/mol, XLogP of 25.64, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-4-chloro-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(3-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[2,4-dichloro-8-methyl-3-(4-methylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 158982398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).