1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol

C26H33ClN2O — CID 90669213

IUPAC1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(Cc2ccccc2)nc2c(Cl)cccc12
InChIInChI=1S/C26H33ClN2O/c1-3-5-15-29(16-6-4-2)19-25(30)23-18-21(17-20-11-8-7-9-12-20)28-26-22(23)13-10-14-24(26)27/h7-14,18,25,30H,3-6,15-17,19H2,1-2H3
InChIKeyZYPRQWQJCXZLPN-UHFFFAOYSA-N
MW425.02 g/mol
LogP6.41
Rot. Bonds11

About 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol

1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol (PubChem CID 90669213) has the molecular formula C26H33ClN2O and a molecular weight of 425.02 g/mol. Its IUPAC name is 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol.

Molecular Properties

Compound Name1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol
PubChem CID90669213
Molecular FormulaC26H33ClN2O
Molecular Weight425.02 g/mol
Exact Mass424.23
IUPAC Name1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(Cc2ccccc2)nc2c(Cl)cccc12
InChIInChI=1S/C26H33ClN2O/c1-3-5-15-29(16-6-4-2)19-25(30)23-18-21(17-20-11-8-7-9-12-20)28-26-22(23)13-10-14-24(26)27/h7-14,18,25,30H,3-6,15-17,19H2,1-2H3
InChIKeyZYPRQWQJCXZLPN-UHFFFAOYSA-N
XLogP6.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.02
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)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-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol?
The IUPAC name of 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol (CID 90669213) is 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol.
What is the SMILES notation for 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol?
The canonical SMILES for 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol is CCCCN(CCCC)CC(O)c1cc(Cc2ccccc2)nc2c(Cl)cccc12.
What is the InChIKey of 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol?
The InChIKey is ZYPRQWQJCXZLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O/c1-3-5-15-29(16-6-4-2)19-25(30)23-18-21(17-20-11-8-7-9-12-20)28-26-22(23)13-10-14-24(26)27/h7-14,18,25,30H,3-6,15-17,19H2,1-2H3.
What are the key properties of 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol?
1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol has a molecular weight of 425.02 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-8-chloroquinolin-4-yl)-2-(dibutylamino)ethanol is sourced from PubChem (CID 90669213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).