2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol

C24H17Cl4NO2 — CID 53318306

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol
SMILESOCCc1c(OCc2c(Cl)cccc2Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C24H17Cl4NO2/c25-14-8-9-22-17(12-14)23(15-4-1-2-5-19(15)26)16(10-11-30)24(29-22)31-13-18-20(27)6-3-7-21(18)28/h1-9,12,30H,10-11,13H2
InChIKeyRYLZLEVANKLOBK-UHFFFAOYSA-N
MW493.22 g/mol
LogP7.63
Rot. Bonds6

About 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol

2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol (PubChem CID 53318306) has the molecular formula C24H17Cl4NO2 and a molecular weight of 493.22 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol
PubChem CID53318306
Molecular FormulaC24H17Cl4NO2
Molecular Weight493.22 g/mol
Exact Mass491.00
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol
SMILESOCCc1c(OCc2c(Cl)cccc2Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C24H17Cl4NO2/c25-14-8-9-22-17(12-14)23(15-4-1-2-5-19(15)26)16(10-11-30)24(29-22)31-13-18-20(27)6-3-7-21(18)28/h1-9,12,30H,10-11,13H2
InChIKeyRYLZLEVANKLOBK-UHFFFAOYSA-N
XLogP7.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.22
LogP ≤ 57.63
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-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol (CID 53318306) is 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol is OCCc1c(OCc2c(Cl)cccc2Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol?
The InChIKey is RYLZLEVANKLOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl4NO2/c25-14-8-9-22-17(12-14)23(15-4-1-2-5-19(15)26)16(10-11-30)24(29-22)31-13-18-20(27)6-3-7-21(18)28/h1-9,12,30H,10-11,13H2.
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol?
2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol has a molecular weight of 493.22 g/mol, XLogP of 7.63, 6 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-[(2,6-dichlorophenyl)methoxy]quinolin-3-yl]ethanol is sourced from PubChem (CID 53318306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).