(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C29H26ClN3O2 — CID 46236886

IUPAC(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCOc1cc(-c2cc(C)cc(C)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n1
InChIInChI=1S/C29H26ClN3O2/c1-18-11-19(2)13-20(12-18)24-15-28(35-4)32-26-10-7-22(14-25(24)26)29(34,27-16-31-17-33(27)3)21-5-8-23(30)9-6-21/h5-17,34H,1-4H3
InChIKeyAQMDCEVVYXKDCT-UHFFFAOYSA-N
MW484.00 g/mol
LogP6.20
Rot. Bonds5

About (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol

(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 46236886) has the molecular formula C29H26ClN3O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID46236886
Molecular FormulaC29H26ClN3O2
Molecular Weight484.00 g/mol
Exact Mass483.17
IUPAC Name(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCOc1cc(-c2cc(C)cc(C)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n1
InChIInChI=1S/C29H26ClN3O2/c1-18-11-19(2)13-20(12-18)24-15-28(35-4)32-26-10-7-22(14-25(24)26)29(34,27-16-31-17-33(27)3)21-5-8-23(30)9-6-21/h5-17,34H,1-4H3
InChIKeyAQMDCEVVYXKDCT-UHFFFAOYSA-N
XLogP6.20
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol with MolForge

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Related Compounds

[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
CID 22048468
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one
CID 46237411
(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 118014397
[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 118022713
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine
CID 143128783
(6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 174141469
(3-benzyl-2,4-dimethylquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 74220812
1-(4-chlorophenyl)-3-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]urea
CID 23577728
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 23388873
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methyl-4-pyridinyl)quinolin-2-one
CID 70942774
(2,4-dichloro-3-phenoxyquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(3-methylimidazol-4-yl)methanol
CID 74223744
N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide
CID 23577815

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 46236886) is (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol is COc1cc(-c2cc(C)cc(C)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n1.
What is the InChIKey of (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is AQMDCEVVYXKDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O2/c1-18-11-19(2)13-20(12-18)24-15-28(35-4)32-26-10-7-22(14-25(24)26)29(34,27-16-31-17-33(27)3)21-5-8-23(30)9-6-21/h5-17,34H,1-4H3.
What are the key properties of (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 484.00 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 46236886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).