2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride

C24H31ClN2O — CID 44537251

IUPAC2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride
SMILESCCN(CC)CC(O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12.Cl
InChIInChI=1S/C24H30N2O.ClH/c1-6-26(7-2)15-23(27)20-14-22(19-10-8-16(3)9-11-19)25-24-18(5)12-17(4)13-21(20)24;/h8-14,23,27H,6-7,15H2,1-5H3;1H
InChIKeyXTYKQZPACCXSRY-UHFFFAOYSA-N
MW398.98 g/mol
LogP5.62
Rot. Bonds6

About 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride

2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride (PubChem CID 44537251) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride
PubChem CID44537251
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC Name2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride
SMILESCCN(CC)CC(O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12.Cl
InChIInChI=1S/C24H30N2O.ClH/c1-6-26(7-2)15-23(27)20-14-22(19-10-8-16(3)9-11-19)25-24-18(5)12-17(4)13-21(20)24;/h8-14,23,27H,6-7,15H2,1-5H3;1H
InChIKeyXTYKQZPACCXSRY-UHFFFAOYSA-N
XLogP5.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride?
The IUPAC name of 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride (CID 44537251) is 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride?
The canonical SMILES for 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride is CCN(CC)CC(O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12.Cl.
What is the InChIKey of 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride?
The InChIKey is XTYKQZPACCXSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O.ClH/c1-6-26(7-2)15-23(27)20-14-22(19-10-8-16(3)9-11-19)25-24-18(5)12-17(4)13-21(20)24;/h8-14,23,27H,6-7,15H2,1-5H3;1H.
What are the key properties of 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride?
2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride has a molecular weight of 398.98 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[6,8-dimethyl-2-(4-methylphenyl)quinolin-4-yl]ethanol;hydrochloride is sourced from PubChem (CID 44537251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).