2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol

C25H28Cl3FN2O — CID 90669036

IUPAC2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol
SMILESCCCCN(CCCC)CC(O)c1c(F)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C25H28Cl3FN2O/c1-3-5-11-31(12-6-4-2)15-21(32)22-19-13-18(27)14-20(28)25(19)30-24(23(22)29)16-7-9-17(26)10-8-16/h7-10,13-14,21,32H,3-6,11-12,15H2,1-2H3
InChIKeyYYZNYKGXPNDPRR-UHFFFAOYSA-N
MW497.87 g/mol
LogP7.94
Rot. Bonds10

About 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol

2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol (PubChem CID 90669036) has the molecular formula C25H28Cl3FN2O and a molecular weight of 497.87 g/mol. Its IUPAC name is 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol.

Molecular Properties

Compound Name2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol
PubChem CID90669036
Molecular FormulaC25H28Cl3FN2O
Molecular Weight497.87 g/mol
Exact Mass496.13
IUPAC Name2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol
SMILESCCCCN(CCCC)CC(O)c1c(F)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C25H28Cl3FN2O/c1-3-5-11-31(12-6-4-2)15-21(32)22-19-13-18(27)14-20(28)25(19)30-24(23(22)29)16-7-9-17(26)10-8-16/h7-10,13-14,21,32H,3-6,11-12,15H2,1-2H3
InChIKeyYYZNYKGXPNDPRR-UHFFFAOYSA-N
XLogP7.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.87
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]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 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol?
The IUPAC name of 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol (CID 90669036) is 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol.
What is the SMILES notation for 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol?
The canonical SMILES for 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol is CCCCN(CCCC)CC(O)c1c(F)c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol?
The InChIKey is YYZNYKGXPNDPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl3FN2O/c1-3-5-11-31(12-6-4-2)15-21(32)22-19-13-18(27)14-20(28)25(19)30-24(23(22)29)16-7-9-17(26)10-8-16/h7-10,13-14,21,32H,3-6,11-12,15H2,1-2H3.
What are the key properties of 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol?
2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol has a molecular weight of 497.87 g/mol, XLogP of 7.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-[6,8-dichloro-2-(4-chlorophenyl)-3-fluoroquinolin-4-yl]ethanol is sourced from PubChem (CID 90669036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).