2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride

C23H29ClN2O — CID 90669588

IUPAC2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride
SMILESCCCN(CCC)CC(O)c1cc(-c2ccccc2)nc2ccccc12.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-3-14-25(15-4-2)17-23(26)20-16-22(18-10-6-5-7-11-18)24-21-13-9-8-12-19(20)21;/h5-13,16,23,26H,3-4,14-15,17H2,1-2H3;1H
InChIKeyHZCRHKQOSBBVES-UHFFFAOYSA-N
MW384.95 g/mol
LogP5.48
Rot. Bonds8

About 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride

2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride (PubChem CID 90669588) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride
PubChem CID90669588
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride
SMILESCCCN(CCC)CC(O)c1cc(-c2ccccc2)nc2ccccc12.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-3-14-25(15-4-2)17-23(26)20-16-22(18-10-6-5-7-11-18)24-21-13-9-8-12-19(20)21;/h5-13,16,23,26H,3-4,14-15,17H2,1-2H3;1H
InChIKeyHZCRHKQOSBBVES-UHFFFAOYSA-N
XLogP5.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
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-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride?
The IUPAC name of 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride (CID 90669588) is 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride is CCCN(CCC)CC(O)c1cc(-c2ccccc2)nc2ccccc12.Cl.
What is the InChIKey of 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride?
The InChIKey is HZCRHKQOSBBVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.ClH/c1-3-14-25(15-4-2)17-23(26)20-16-22(18-10-6-5-7-11-18)24-21-13-9-8-12-19(20)21;/h5-13,16,23,26H,3-4,14-15,17H2,1-2H3;1H.
What are the key properties of 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride?
2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-1-(2-phenylquinolin-4-yl)ethanol;hydrochloride is sourced from PubChem (CID 90669588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).