2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

C28H27Cl2NO2 — CID 66631066

IUPAC2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCc1cc2nc(-c3ccc(Cl)cc3)ccc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C
InChIInChI=1S/C28H27Cl2NO2/c1-17-15-24-22(13-14-23(31-24)18-5-9-20(29)10-6-18)27(19-7-11-21(30)12-8-19)26(17)25(16-32)33-28(2,3)4/h5-15,25,32H,16H2,1-4H3
InChIKeyQDVINSNUZDTAJH-UHFFFAOYSA-N
MW480.44 g/mol
LogP8.03
Rot. Bonds5

About 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 66631066) has the molecular formula C28H27Cl2NO2 and a molecular weight of 480.44 g/mol. Its IUPAC name is 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID66631066
Molecular FormulaC28H27Cl2NO2
Molecular Weight480.44 g/mol
Exact Mass479.14
IUPAC Name2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCc1cc2nc(-c3ccc(Cl)cc3)ccc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C
InChIInChI=1S/C28H27Cl2NO2/c1-17-15-24-22(13-14-23(31-24)18-5-9-20(29)10-6-18)27(19-7-11-21(30)12-8-19)26(17)25(16-32)33-28(2,3)4/h5-15,25,32H,16H2,1-4H3
InChIKeyQDVINSNUZDTAJH-UHFFFAOYSA-N
XLogP8.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.44
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 66631066) is 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is Cc1cc2nc(-c3ccc(Cl)cc3)ccc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C.
What is the InChIKey of 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is QDVINSNUZDTAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2NO2/c1-17-15-24-22(13-14-23(31-24)18-5-9-20(29)10-6-18)27(19-7-11-21(30)12-8-19)26(17)25(16-32)33-28(2,3)4/h5-15,25,32H,16H2,1-4H3.
What are the key properties of 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 480.44 g/mol, XLogP of 8.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 66631066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).