2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol

C18H15Cl2NO2 — CID 53320072

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol
SMILESCOc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1CCO
InChIInChI=1S/C18H15Cl2NO2/c1-23-18-13(8-9-22)17(12-4-2-3-5-15(12)20)14-10-11(19)6-7-16(14)21-18/h2-7,10,22H,8-9H2,1H3
InChIKeyOBHNDJALCFXREI-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.75
Rot. Bonds4

About 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol

2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol (PubChem CID 53320072) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol
PubChem CID53320072
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol
SMILESCOc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1CCO
InChIInChI=1S/C18H15Cl2NO2/c1-23-18-13(8-9-22)17(12-4-2-3-5-15(12)20)14-10-11(19)6-7-16(14)21-18/h2-7,10,22H,8-9H2,1H3
InChIKeyOBHNDJALCFXREI-UHFFFAOYSA-N
XLogP4.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol (CID 53320072) is 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol is COc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1CCO.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol?
The InChIKey is OBHNDJALCFXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-23-18-13(8-9-22)17(12-4-2-3-5-15(12)20)14-10-11(19)6-7-16(14)21-18/h2-7,10,22H,8-9H2,1H3.
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol?
2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol has a molecular weight of 348.23 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-chlorophenyl)-2-methoxyquinolin-3-yl]ethanol is sourced from PubChem (CID 53320072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).