1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride

C25H31Cl3N2O — CID 24185504

IUPAC1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(dibutylamino)ethanol;hydrochloride
SMILESCCCCN(CCCC)CC(C1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl)O.Cl
InChIInChI=1S/C25H30Cl2N2O.ClH/c1-3-5-13-29(14-6-4-2)17-25(30)22-16-23(18-7-9-19(26)10-8-18)28-24-15-20(27)11-12-21(22)24;/h7-12,15-16,25,30H,3-6,13-14,17H2,1-2H3;1H
InChIKeyADEZGIPHJSVFBI-UHFFFAOYSA-N
MW481.90 g/mol
LogP—
Rot. Bonds10

About 1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride

1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride (PubChem CID 24185504) has the molecular formula C25H31Cl3N2O and a molecular weight of 481.90 g/mol. Its IUPAC name is 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(dibutylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride
PubChem CID24185504
Molecular FormulaC25H31Cl3N2O
Molecular Weight481.90 g/mol
Exact Mass480.15
IUPAC Name1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(dibutylamino)ethanol;hydrochloride
SMILESCCCCN(CCCC)CC(C1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl)O.Cl
InChIInChI=1S/C25H30Cl2N2O.ClH/c1-3-5-13-29(14-6-4-2)17-25(30)22-16-23(18-7-9-19(26)10-8-18)28-24-15-20(27)11-12-21(22)24;/h7-12,15-16,25,30H,3-6,13-14,17H2,1-2H3;1H
InChIKeyADEZGIPHJSVFBI-UHFFFAOYSA-N
XLogP—
TPSA36.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity478

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride?
The IUPAC name of 1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride (CID 24185504) is 1-[7-chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(dibutylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride?
The canonical SMILES for 1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride is CCCCN(CCCC)CC(C1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl)O.Cl.
What is the InChIKey of 1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride?
The InChIKey is ADEZGIPHJSVFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O.ClH/c1-3-5-13-29(14-6-4-2)17-25(30)22-16-23(18-7-9-19(26)10-8-18)28-24-15-20(27)11-12-21(22)24;/h7-12,15-16,25,30H,3-6,13-14,17H2,1-2H3;1H.
What are the key properties of 1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride?
1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride has a molecular weight of 481.90 g/mol, XLogP of not available, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride is sourced from PubChem (CID 24185504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).