2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

C30H32ClNO2 — CID 66631636

About 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 66631636) has the molecular formula C30H32ClNO2 and a molecular weight of 474.04 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

• Compound Name: 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
• PubChem CID: 66631636
• Molecular Formula: C30H32ClNO2
• Molecular Weight: 474.04 g/mol
• Exact Mass: 473.21
• IUPAC Name: 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
• SMILES: Cc1cc2nc(CCc3ccccc3)ccc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C
• InChI: InChI=1S/C30H32ClNO2/c1-20-18-26-25(17-16-24(32-26)15-10-21-8-6-5-7-9-21)29(22-11-13-23(31)14-12-22)28(20)27(19-33)34-30(2,3)4/h5-9,11-14,16-18,27,33H,10,15,19H2,1-4H3
• InChIKey: UQWQXKQSWSJBLV-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.04
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?

The IUPAC name of 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 66631636) is 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.

What is the SMILES notation for 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?

The canonical SMILES for 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is Cc1cc2nc(CCc3ccccc3)ccc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C.

What is the InChIKey of 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?

The InChIKey is UQWQXKQSWSJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClNO2/c1-20-18-26-25(17-16-24(32-26)15-10-21-8-6-5-7-9-21)29(22-11-13-23(31)14-12-22)28(20)27(19-33)34-30(2,3)4/h5-9,11-14,16-18,27,33H,10,15,19H2,1-4H3.

What are the key properties of 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?

2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 474.04 g/mol, XLogP of 7.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 66631636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).