1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol

C22H23Cl2NO — CID 163682261

IUPAC1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol
SMILESCC(C)Cc1nc2ccc(Cl)cc2c(Cc2ccccc2Cl)c1C(C)O
InChIInChI=1S/C22H23Cl2NO/c1-13(2)10-21-22(14(3)26)18(11-15-6-4-5-7-19(15)24)17-12-16(23)8-9-20(17)25-21/h4-9,12-14,26H,10-11H2,1-3H3
InChIKeyJLUSSVHXVBUWDK-UHFFFAOYSA-N
MW388.34 g/mol
LogP6.38
Rot. Bonds5

About 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol

1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol (PubChem CID 163682261) has the molecular formula C22H23Cl2NO and a molecular weight of 388.34 g/mol. Its IUPAC name is 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol.

Molecular Properties

Compound Name1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol
PubChem CID163682261
Molecular FormulaC22H23Cl2NO
Molecular Weight388.34 g/mol
Exact Mass387.12
IUPAC Name1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol
SMILESCC(C)Cc1nc2ccc(Cl)cc2c(Cc2ccccc2Cl)c1C(C)O
InChIInChI=1S/C22H23Cl2NO/c1-13(2)10-21-22(14(3)26)18(11-15-6-4-5-7-19(15)24)17-12-16(23)8-9-20(17)25-21/h4-9,12-14,26H,10-11H2,1-3H3
InChIKeyJLUSSVHXVBUWDK-UHFFFAOYSA-N
XLogP6.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol?
The IUPAC name of 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol (CID 163682261) is 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol.
What is the SMILES notation for 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol?
The canonical SMILES for 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol is CC(C)Cc1nc2ccc(Cl)cc2c(Cc2ccccc2Cl)c1C(C)O.
What is the InChIKey of 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol?
The InChIKey is JLUSSVHXVBUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2NO/c1-13(2)10-21-22(14(3)26)18(11-15-6-4-5-7-19(15)24)17-12-16(23)8-9-20(17)25-21/h4-9,12-14,26H,10-11H2,1-3H3.
What are the key properties of 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol?
1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol has a molecular weight of 388.34 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)quinolin-3-yl]ethanol is sourced from PubChem (CID 163682261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).