(2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

C22H24ClNO2 — CID 66631441

IUPAC(2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@@H](CO)OC(C)(C)C
InChIInChI=1S/C22H24ClNO2/c1-14-12-16-6-5-11-24-21(16)20(15-7-9-17(23)10-8-15)19(14)18(13-25)26-22(2,3)4/h5-12,18,25H,13H2,1-4H3/t18-/m1/s1
InChIKeyNJZHCZGDRUTHGB-GOSISDBHSA-N
MW369.89 g/mol
LogP5.71
Rot. Bonds4

About (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

(2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 66631441) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name(2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID66631441
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name(2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@@H](CO)OC(C)(C)C
InChIInChI=1S/C22H24ClNO2/c1-14-12-16-6-5-11-24-21(16)20(15-7-9-17(23)10-8-15)19(14)18(13-25)26-22(2,3)4/h5-12,18,25H,13H2,1-4H3/t18-/m1/s1
InChIKeyNJZHCZGDRUTHGB-GOSISDBHSA-N
XLogP5.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.89
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 66631441) is (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is Cc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@@H](CO)OC(C)(C)C.
What is the InChIKey of (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is NJZHCZGDRUTHGB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24ClNO2/c1-14-12-16-6-5-11-24-21(16)20(15-7-9-17(23)10-8-15)19(14)18(13-25)26-22(2,3)4/h5-12,18,25H,13H2,1-4H3/t18-/m1/s1.
What are the key properties of (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
(2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 369.89 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 66631441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).