(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol

C27H20Cl3N3O — CID 74222808

IUPAC(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
SMILESCc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C
InChIInChI=1S/C27H20Cl3N3O/c1-16-31-15-23(33(16)2)27(34,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(30)32-22)17-6-4-3-5-7-17/h3-15,34H,1-2H3
InChIKeyLNIQOWITSGEWPD-UHFFFAOYSA-N
MW508.84 g/mol
LogP7.19
Rot. Bonds4

About (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol

(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 74222808) has the molecular formula C27H20Cl3N3O and a molecular weight of 508.84 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
PubChem CID74222808
Molecular FormulaC27H20Cl3N3O
Molecular Weight508.84 g/mol
Exact Mass507.07
IUPAC Name(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
SMILESCc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C
InChIInChI=1S/C27H20Cl3N3O/c1-16-31-15-23(33(16)2)27(34,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(30)32-22)17-6-4-3-5-7-17/h3-15,34H,1-2H3
InChIKeyLNIQOWITSGEWPD-UHFFFAOYSA-N
XLogP7.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.84
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol (CID 74222808) is (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol is Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C.
What is the InChIKey of (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol?
The InChIKey is LNIQOWITSGEWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl3N3O/c1-16-31-15-23(33(16)2)27(34,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(30)32-22)17-6-4-3-5-7-17/h3-15,34H,1-2H3.
What are the key properties of (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol?
(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 508.84 g/mol, XLogP of 7.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 74222808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).