2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol

C19H26Cl2N2O — CID 90669705

IUPAC2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol
SMILESCCCCN(CCCC)CC(O)c1cnc2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C19H26Cl2N2O/c1-3-5-7-23(8-6-4-2)13-18(24)15-9-14-10-16(20)11-17(21)19(14)22-12-15/h9-12,18,24H,3-8,13H2,1-2H3
InChIKeyPQLWHWLIMIMDRV-UHFFFAOYSA-N
MW369.34 g/mol
LogP5.48
Rot. Bonds9

About 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol

2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol (PubChem CID 90669705) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol
PubChem CID90669705
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol
SMILESCCCCN(CCCC)CC(O)c1cnc2c(Cl)cc(Cl)cc2c1
InChIInChI=1S/C19H26Cl2N2O/c1-3-5-7-23(8-6-4-2)13-18(24)15-9-14-10-16(20)11-17(21)19(14)22-12-15/h9-12,18,24H,3-8,13H2,1-2H3
InChIKeyPQLWHWLIMIMDRV-UHFFFAOYSA-N
XLogP5.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol?
The IUPAC name of 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol (CID 90669705) is 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol.
What is the SMILES notation for 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol?
The canonical SMILES for 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol is CCCCN(CCCC)CC(O)c1cnc2c(Cl)cc(Cl)cc2c1.
What is the InChIKey of 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol?
The InChIKey is PQLWHWLIMIMDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O/c1-3-5-7-23(8-6-4-2)13-18(24)15-9-14-10-16(20)11-17(21)19(14)22-12-15/h9-12,18,24H,3-8,13H2,1-2H3.
What are the key properties of 2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol?
2-(dibutylamino)-1-(6,8-dichloroquinolin-3-yl)ethanol has a molecular weight of 369.34 g/mol, XLogP of 5.48, 9 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-dichloroquinolin-3-yl)ethanol is sourced from PubChem (CID 90669705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).