1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol

C23H34Cl2N2O — CID 90669659

IUPAC1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol
SMILESCCCCCCN(CCCCCC)CC(O)c1cnc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C23H34Cl2N2O/c1-3-5-7-9-13-27(14-10-8-6-4-2)17-22(28)20-16-26-21-15-18(24)11-12-19(21)23(20)25/h11-12,15-16,22,28H,3-10,13-14,17H2,1-2H3
InChIKeyYRUZOBDSEXVOIS-UHFFFAOYSA-N
MW425.44 g/mol
LogP7.04
Rot. Bonds13

About 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol

1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol (PubChem CID 90669659) has the molecular formula C23H34Cl2N2O and a molecular weight of 425.44 g/mol. Its IUPAC name is 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol.

Molecular Properties

Compound Name1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol
PubChem CID90669659
Molecular FormulaC23H34Cl2N2O
Molecular Weight425.44 g/mol
Exact Mass424.20
IUPAC Name1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol
SMILESCCCCCCN(CCCCCC)CC(O)c1cnc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C23H34Cl2N2O/c1-3-5-7-9-13-27(14-10-8-6-4-2)17-22(28)20-16-26-21-15-18(24)11-12-19(21)23(20)25/h11-12,15-16,22,28H,3-10,13-14,17H2,1-2H3
InChIKeyYRUZOBDSEXVOIS-UHFFFAOYSA-N
XLogP7.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,7-dichloroquinolin-3-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

Related Compounds

(1R)-1-[7-chloro-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dioctylamino)ethanol
CID 98128320
(1R)-1-(5-chloro-2-methoxyphenyl)-2-(dioctylamino)ethanol
CID 98529562
1-[3-chloro-6-(trifluoromethyl)phenanthren-9-yl]-2-(dibutylamino)ethanol
CID 90668912
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902
1-(3,6-dibromophenanthren-9-yl)-2-(dihexylamino)ethanol
CID 90668926
1-[6-chloro-7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]-2-(dihexylamino)ethanol
CID 90669178
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 58467346
2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol
CID 90669705
2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
CID 63472284
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
2-(diheptylamino)-1-[3-iodo-6-(trifluoromethyl)phenanthren-9-yl]ethanol
CID 90668919

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol?
The IUPAC name of 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol (CID 90669659) is 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol.
What is the SMILES notation for 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol?
The canonical SMILES for 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol is CCCCCCN(CCCCCC)CC(O)c1cnc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol?
The InChIKey is YRUZOBDSEXVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Cl2N2O/c1-3-5-7-9-13-27(14-10-8-6-4-2)17-22(28)20-16-26-21-15-18(24)11-12-19(21)23(20)25/h11-12,15-16,22,28H,3-10,13-14,17H2,1-2H3.
What are the key properties of 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol?
1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol has a molecular weight of 425.44 g/mol, XLogP of 7.04, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dichloroquinolin-3-yl)-2-(dihexylamino)ethanol is sourced from PubChem (CID 90669659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).