[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol

C158H125Cl11FN21O8S — CID 159197978

About [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol

[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol (PubChem CID 159197978) has the molecular formula C158H125Cl11FN21O8S and a molecular weight of 2886.92 g/mol. Its IUPAC name is [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol.

Molecular Properties

• Compound Name: [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
• PubChem CID: 159197978
• Molecular Formula: C158H125Cl11FN21O8S
• Molecular Weight: 2886.92 g/mol
• Exact Mass: 2879.63
• IUPAC Name: [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
• SMILES: CN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COc1nc2ccc(C(O)(c3ncccn3)c3cncn3C)cc2c(OC)c1-c1ccccc1.Cc1nc(C)c(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)s1.Cn1ccnc1C(O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)cc2c1.OC(c1cccnc1)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)C1CCNCC1
• InChI: InChI=1S/C28H24Cl2N4O.C27H19Cl3N2OS.C26H19Cl2N3O.C26H23Cl2N3O.C26H23N5O3.C25H17Cl2FN4O/c1-33(2)27-25(18-7-5-4-6-8-18)26(30)22-15-20(11-14-23(22)32-27)28(35,24-16-31-17-34(24)3)19-9-12-21(29)13-10-19;1-15-25(34-16(2)31-15)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)24(29)23(26(30)32-22)17-6-4-3-5-7-17;1-31-16-29-15-24(31)26(32,19-7-10-21(27)11-8-19)20-9-12-23-18(13-20)14-22(25(28)30-23)17-5-3-2-4-6-17;27-24-21-15-19(8-9-22(21)31-25(28)23(24)17-5-2-1-3-6-17)26(32,18-10-13-29-14-11-18)20-7-4-12-30-16-20;1-31-16-27-15-21(31)26(32,25-28-12-7-13-29-25)18-10-11-20-19(14-18)23(33-2)22(24(30-20)34-3)17-8-5-4-6-9-17;1-32-12-11-30-24(32)25(33,17-9-10-29-20(28)14-17)16-7-8-19-18(13-16)22(26)21(23(27)31-19)15-5-3-2-4-6-15/h4-17,35H,1-3H3;3-14,33H,1-2H3;2-16,32H,1H3;1-9,12,15-16,18,29,32H,10-11,13-14H2;4-16,32H,1-3H3;2-14,33H,1H3
• InChIKey: KOXHHUXBSFYLQS-UHFFFAOYSA-N
• XLogP: 36.06
• TPSA: 368.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2886.92
LogP ≤ 5	36.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?

The IUPAC name of [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol (CID 159197978) is [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol.

What is the SMILES notation for [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?

The canonical SMILES for [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol is CN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.COc1nc2ccc(C(O)(c3ncccn3)c3cncn3C)cc2c(OC)c1-c1ccccc1.Cc1nc(C)c(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)s1.Cn1ccnc1C(O)(c1ccnc(F)c1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)cc2c1.OC(c1cccnc1)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)C1CCNCC1.

What is the InChIKey of [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?

The InChIKey is KOXHHUXBSFYLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O.C27H19Cl3N2OS.C26H19Cl2N3O.C26H23Cl2N3O.C26H23N5O3.C25H17Cl2FN4O/c1-33(2)27-25(18-7-5-4-6-8-18)26(30)22-15-20(11-14-23(22)32-27)28(35,24-16-31-17-34(24)3)19-9-12-21(29)13-10-19;1-15-25(34-16(2)31-15)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)24(29)23(26(30)32-22)17-6-4-3-5-7-17;1-31-16-29-15-24(31)26(32,19-7-10-21(27)11-8-19)20-9-12-23-18(13-20)14-22(25(28)30-23)17-5-3-2-4-6-17;27-24-21-15-19(8-9-22(21)31-25(28)23(24)17-5-2-1-3-6-17)26(32,18-10-13-29-14-11-18)20-7-4-12-30-16-20;1-31-16-27-15-21(31)26(32,25-28-12-7-13-29-25)18-10-11-20-19(14-18)23(33-2)22(24(30-20)34-3)17-8-5-4-6-9-17;1-32-12-11-30-24(32)25(33,17-9-10-29-20(28)14-17)16-7-8-19-18(13-16)22(26)21(23(27)31-19)15-5-3-2-4-6-15/h4-17,35H,1-3H3;3-14,33H,1-2H3;2-16,32H,1H3;1-9,12,15-16,18,29,32H,10-11,13-14H2;4-16,32H,1-3H3;2-14,33H,1H3.

What are the key properties of [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol?

[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol has a molecular weight of 2886.92 g/mol, XLogP of 36.06, 27 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-fluoro-4-pyridinyl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-piperidin-4-yl-pyridin-3-ylmethanol;(2,4-dimethoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol is sourced from PubChem (CID 159197978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).