[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

C28H24Cl2N4O2 — CID 74223797

IUPAC[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1
InChIInChI=1S/C28H24Cl2N4O2/c1-33(2)27-26(36-21-7-5-4-6-8-21)25(30)22-15-19(11-14-23(22)32-27)28(35,24-16-31-17-34(24)3)18-9-12-20(29)13-10-18/h4-17,35H,1-3H3
InChIKeyAUNRETUDSHCGLM-UHFFFAOYSA-N
MW519.43 g/mol
LogP6.42
Rot. Bonds6

About [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 74223797) has the molecular formula C28H24Cl2N4O2 and a molecular weight of 519.43 g/mol. Its IUPAC name is [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID74223797
Molecular FormulaC28H24Cl2N4O2
Molecular Weight519.43 g/mol
Exact Mass518.13
IUPAC Name[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1
InChIInChI=1S/C28H24Cl2N4O2/c1-33(2)27-26(36-21-7-5-4-6-8-21)25(30)22-15-19(11-14-23(22)32-27)28(35,24-16-31-17-34(24)3)18-9-12-20(29)13-10-18/h4-17,35H,1-3H3
InChIKeyAUNRETUDSHCGLM-UHFFFAOYSA-N
XLogP6.42
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-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 [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (CID 74223797) is [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is CN(C)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Oc1ccccc1.
What is the InChIKey of [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is AUNRETUDSHCGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O2/c1-33(2)27-26(36-21-7-5-4-6-8-21)25(30)22-15-19(11-14-23(22)32-27)28(35,24-16-31-17-34(24)3)18-9-12-20(29)13-10-18/h4-17,35H,1-3H3.
What are the key properties of [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
[4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 519.43 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(dimethylamino)-3-phenoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 74223797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).