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

C26H32Cl2N2O2 — CID 90669160

IUPAC1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C26H32Cl2N2O2/c1-4-6-12-30(13-7-5-2)17-25(31)21-15-23(18-8-10-19(27)11-9-18)29-24-16-26(32-3)22(28)14-20(21)24/h8-11,14-16,25,31H,4-7,12-13,17H2,1-3H3
InChIKeyRGSSYBJHYVRRDJ-UHFFFAOYSA-N
MW475.46 g/mol
LogP7.15
Rot. Bonds11

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

1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol (PubChem CID 90669160) has the molecular formula C26H32Cl2N2O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol.

Molecular Properties

Compound Name1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol
PubChem CID90669160
Molecular FormulaC26H32Cl2N2O2
Molecular Weight475.46 g/mol
Exact Mass474.18
IUPAC Name1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12
InChIInChI=1S/C26H32Cl2N2O2/c1-4-6-12-30(13-7-5-2)17-25(31)21-15-23(18-8-10-19(27)11-9-18)29-24-16-26(32-3)22(28)14-20(21)24/h8-11,14-16,25,31H,4-7,12-13,17H2,1-3H3
InChIKeyRGSSYBJHYVRRDJ-UHFFFAOYSA-N
XLogP7.15
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol?
The IUPAC name of 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol (CID 90669160) is 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol.
What is the SMILES notation for 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol?
The canonical SMILES for 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol is CCCCN(CCCC)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-(dibutylamino)ethanol?
The InChIKey is RGSSYBJHYVRRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N2O2/c1-4-6-12-30(13-7-5-2)17-25(31)21-15-23(18-8-10-19(27)11-9-18)29-24-16-26(32-3)22(28)14-20(21)24/h8-11,14-16,25,31H,4-7,12-13,17H2,1-3H3.
What are the key properties of 1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol?
1-[6-chloro-2-(4-chlorophenyl)-7-methoxyquinolin-4-yl]-2-(dibutylamino)ethanol has a molecular weight of 475.46 g/mol, XLogP of 7.15, 11 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-(dibutylamino)ethanol is sourced from PubChem (CID 90669160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).