1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol

C30H40Cl2N2O2 — CID 90669159

IUPAC1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol
SMILESCCCCCCN(CCCCCC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C30H40Cl2N2O2/c1-4-6-8-10-16-34(17-11-9-7-5-2)21-29(35)25-19-27(22-12-14-23(31)15-13-22)33-28-20-30(36-3)26(32)18-24(25)28/h12-15,18-20,29,35H,4-11,16-17,21H2,1-3H3
InChIKeyWNIYUNKMXKMAEP-UHFFFAOYSA-N
MW531.57 g/mol
LogP8.71
Rot. Bonds15

About 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol

1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol (PubChem CID 90669159) has the molecular formula C30H40Cl2N2O2 and a molecular weight of 531.57 g/mol. Its IUPAC name is 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol.

Molecular Properties

Compound Name1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol
PubChem CID90669159
Molecular FormulaC30H40Cl2N2O2
Molecular Weight531.57 g/mol
Exact Mass530.25
IUPAC Name1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol
SMILESCCCCCCN(CCCCCC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C30H40Cl2N2O2/c1-4-6-8-10-16-34(17-11-9-7-5-2)21-29(35)25-19-27(22-12-14-23(31)15-13-22)33-28-20-30(36-3)26(32)18-24(25)28/h12-15,18-20,29,35H,4-11,16-17,21H2,1-3H3
InChIKeyWNIYUNKMXKMAEP-UHFFFAOYSA-N
XLogP8.71
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.57
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol 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 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol?
The IUPAC name of 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol (CID 90669159) is 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol.
What is the SMILES notation for 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol?
The canonical SMILES for 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol is CCCCCCN(CCCCCC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12.
What is the InChIKey of 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol?
The InChIKey is WNIYUNKMXKMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40Cl2N2O2/c1-4-6-8-10-16-34(17-11-9-7-5-2)21-29(35)25-19-27(22-12-14-23(31)15-13-22)33-28-20-30(36-3)26(32)18-24(25)28/h12-15,18-20,29,35H,4-11,16-17,21H2,1-3H3.
What are the key properties of 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol?
1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol has a molecular weight of 531.57 g/mol, XLogP of 8.71, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dihexylamino)ethanol is sourced from PubChem (CID 90669159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).