(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

C29H26ClN3O — CID 74220812

IUPAC(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C)c1Cc1ccccc1
InChIInChI=1S/C29H26ClN3O/c1-19-25(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/h4-14,16-18,34H,15H2,1-3H3
InChIKeyKNOQLBHGAGDFRW-UHFFFAOYSA-N
MW468.00 g/mol
LogP6.11
Rot. Bonds5

About (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 74220812) has the molecular formula C29H26ClN3O and a molecular weight of 468.00 g/mol. Its IUPAC name is (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID74220812
Molecular FormulaC29H26ClN3O
Molecular Weight468.00 g/mol
Exact Mass467.18
IUPAC Name(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C)c1Cc1ccccc1
InChIInChI=1S/C29H26ClN3O/c1-19-25(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/h4-14,16-18,34H,15H2,1-3H3
InChIKeyKNOQLBHGAGDFRW-UHFFFAOYSA-N
XLogP6.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-benzyl-4-chloro-2-(diethylamino)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 149214140
(4-chlorophenyl)-[2,4-dimethyl-3-(2-methylidenehex-5-enyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 144610440
(4-chlorophenyl)-[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 74221327
[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118006170
(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 118014397
[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 74220546
[4-chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 74221201
[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 118022713
(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 46236886
[2-[(2-benzylsulfanylethylamino)methyl]-4-(3-chlorophenyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23577718
1-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinazolin-2-yl]-3-phenylthiourea
CID 23577714
(R)-[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 138805768

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (CID 74220812) is (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is 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?
The InChIKey is KNOQLBHGAGDFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O/c1-19-25(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/h4-14,16-18,34H,15H2,1-3H3.
What are the key properties of (3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 468.00 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 74220812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).