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

C24H17Cl2F2NO2 — CID 53322701

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol
SMILESOCCc1c(OCc2c(F)cccc2F)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C24H17Cl2F2NO2/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
InChIKeyBGKIHNSXSGFAGJ-UHFFFAOYSA-N
MW460.31 g/mol
LogP6.60
Rot. Bonds6

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

2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol (PubChem CID 53322701) has the molecular formula C24H17Cl2F2NO2 and a molecular weight of 460.31 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol
PubChem CID53322701
Molecular FormulaC24H17Cl2F2NO2
Molecular Weight460.31 g/mol
Exact Mass459.06
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol
SMILESOCCc1c(OCc2c(F)cccc2F)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C24H17Cl2F2NO2/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
InChIKeyBGKIHNSXSGFAGJ-UHFFFAOYSA-N
XLogP6.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.31
LogP ≤ 56.60
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-difluorophenyl)methoxy]quinolin-3-yl]ethanol?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol (CID 53322701) is 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol is OCCc1c(OCc2c(F)cccc2F)nc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol?
The InChIKey is BGKIHNSXSGFAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F2NO2/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-difluorophenyl)methoxy]quinolin-3-yl]ethanol?
2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethanol has a molecular weight of 460.31 g/mol, XLogP of 6.60, 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-difluorophenyl)methoxy]quinolin-3-yl]ethanol is sourced from PubChem (CID 53322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).