(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol

C144H129Cl4F4N21O11S2 — CID 158667435

IUPAC(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol
SMILESCCC(=O)c1nc2ccc(C(O)(c3ccc(F)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Cc1ccccc1.COc1ccc(Cc2cc3cc(C(O)(c4cncs4)c4cncn4C)ccc3nc2Cl)cc1.COc1nc2c(C)cc(C(O)(c3cccn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2c(C)cc(C(O)(c3cncn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1.Cc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C)c1Cc1ccccc1
InChIInChI=1S/C31H29ClN6O2.C31H25F4N3O2.C29H26ClN3O.C28H28ClN5O4S.C25H21ClN4O2S/c1-20-15-22(31(39,26-7-5-13-36(26)2)27-18-33-19-37(27)3)17-24-28(32)25(30(40-4)35-29(20)24)16-21-8-10-23(11-9-21)38-14-6-12-34-38;1-3-26(39)29-24(15-19-7-5-4-6-8-19)28(31(33,34)35)23-16-21(11-14-25(23)37-29)30(40,27-17-36-18-38(27)2)20-9-12-22(32)13-10-20;1-19-25(15-21-7-5-4-6-8-21)20(2)32-27-14-11-23(16-26(19)27)29(34,28-17-31-18-33(28)3)22-9-12-24(30)13-10-22;1-17-10-19(28(35,23-13-30-15-33(23)2)24-14-31-16-34(24)3)12-21-25(29)22(27(38-4)32-26(17)21)11-18-6-8-20(9-7-18)39(5,36)37;1-30-14-27-12-22(30)25(31,23-13-28-15-33-23)19-5-8-21-17(11-19)10-18(24(26)29-21)9-16-3-6-20(32-2)7-4-16/h5-15,17-19,39H,16H2,1-4H3;4-14,16-18,40H,3,15H2,1-2H3;4-14,16-18,34H,15H2,1-3H3;6-10,12-16,35H,11H2,1-5H3;3-8,10-15,31H,9H2,1-2H3
InChIKeyIDNPLCYGMCSVSK-UHFFFAOYSA-N
MW2611.69 g/mol
LogP26.96
Rot. Bonds32

About (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol

(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol (PubChem CID 158667435) has the molecular formula C144H129Cl4F4N21O11S2 and a molecular weight of 2611.69 g/mol. Its IUPAC name is (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol
PubChem CID158667435
Molecular FormulaC144H129Cl4F4N21O11S2
Molecular Weight2611.69 g/mol
Exact Mass2607.83
IUPAC Name(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol
SMILESCCC(=O)c1nc2ccc(C(O)(c3ccc(F)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Cc1ccccc1.COc1ccc(Cc2cc3cc(C(O)(c4cncs4)c4cncn4C)ccc3nc2Cl)cc1.COc1nc2c(C)cc(C(O)(c3cccn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2c(C)cc(C(O)(c3cncn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1.Cc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C)c1Cc1ccccc1
InChIInChI=1S/C31H29ClN6O2.C31H25F4N3O2.C29H26ClN3O.C28H28ClN5O4S.C25H21ClN4O2S/c1-20-15-22(31(39,26-7-5-13-36(26)2)27-18-33-19-37(27)3)17-24-28(32)25(30(40-4)35-29(20)24)16-21-8-10-23(11-9-21)38-14-6-12-34-38;1-3-26(39)29-24(15-19-7-5-4-6-8-19)28(31(33,34)35)23-16-21(11-14-25(23)37-29)30(40,27-17-36-18-38(27)2)20-9-12-22(32)13-10-20;1-19-25(15-21-7-5-4-6-8-21)20(2)32-27-14-11-23(16-26(19)27)29(34,28-17-31-18-33(28)3)22-9-12-24(30)13-10-22;1-17-10-19(28(35,23-13-30-15-33(23)2)24-14-31-16-34(24)3)12-21-25(29)22(27(38-4)32-26(17)21)11-18-6-8-20(9-7-18)39(5,36)37;1-30-14-27-12-22(30)25(31,23-13-28-15-33-23)19-5-8-21-17(11-19)10-18(24(26)29-21)9-16-3-6-20(32-2)7-4-16/h5-15,17-19,39H,16H2,1-4H3;4-14,16-18,40H,3,15H2,1-2H3;4-14,16-18,34H,15H2,1-3H3;6-10,12-16,35H,11H2,1-5H3;3-8,10-15,31H,9H2,1-2H3
InChIKeyIDNPLCYGMCSVSK-UHFFFAOYSA-N
XLogP26.96
TPSA387.06 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002611.69
LogP ≤ 526.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol?
The IUPAC name of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol (CID 158667435) is (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol is CCC(=O)c1nc2ccc(C(O)(c3ccc(F)cc3)c3cncn3C)cc2c(C(F)(F)F)c1Cc1ccccc1.COc1ccc(Cc2cc3cc(C(O)(c4cncs4)c4cncn4C)ccc3nc2Cl)cc1.COc1nc2c(C)cc(C(O)(c3cccn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2c(C)cc(C(O)(c3cncn3C)c3cncn3C)cc2c(Cl)c1Cc1ccc(S(C)(=O)=O)cc1.Cc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C)c1Cc1ccccc1.
What is the InChIKey of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol?
The InChIKey is IDNPLCYGMCSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN6O2.C31H25F4N3O2.C29H26ClN3O.C28H28ClN5O4S.C25H21ClN4O2S/c1-20-15-22(31(39,26-7-5-13-36(26)2)27-18-33-19-37(27)3)17-24-28(32)25(30(40-4)35-29(20)24)16-21-8-10-23(11-9-21)38-14-6-12-34-38;1-3-26(39)29-24(15-19-7-5-4-6-8-19)28(31(33,34)35)23-16-21(11-14-25(23)37-29)30(40,27-17-36-18-38(27)2)20-9-12-22(32)13-10-20;1-19-25(15-21-7-5-4-6-8-21)20(2)32-27-14-11-23(16-26(19)27)29(34,28-17-31-18-33(28)3)22-9-12-24(30)13-10-22;1-17-10-19(28(35,23-13-30-15-33(23)2)24-14-31-16-34(24)3)12-21-25(29)22(27(38-4)32-26(17)21)11-18-6-8-20(9-7-18)39(5,36)37;1-30-14-27-12-22(30)25(31,23-13-28-15-33-23)19-5-8-21-17(11-19)10-18(24(26)29-21)9-16-3-6-20(32-2)7-4-16/h5-15,17-19,39H,16H2,1-4H3;4-14,16-18,40H,3,15H2,1-2H3;4-14,16-18,34H,15H2,1-3H3;6-10,12-16,35H,11H2,1-5H3;3-8,10-15,31H,9H2,1-2H3.
What are the key properties of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol?
(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol has a molecular weight of 2611.69 g/mol, XLogP of 26.96, 32 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[3-benzyl-6-[(4-fluorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)quinolin-2-yl]propan-1-one;[4-chloro-2-methoxy-8-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1-methylpyrrol-2-yl)methanol;[2-chloro-3-[(4-methoxyphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 158667435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).