2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol

C24H28N2O — CID 90669716

IUPAC2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol
SMILESCc1cc(C(O)CN2CCCCCC2)cc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C24H28N2O/c1-18-15-21(23(27)17-26-13-7-2-3-8-14-26)16-20-11-12-22(25-24(18)20)19-9-5-4-6-10-19/h4-6,9-12,15-16,23,27H,2-3,7-8,13-14,17H2,1H3
InChIKeyHJNWYQGJRFIKDD-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.12
Rot. Bonds4

About 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol

2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol (PubChem CID 90669716) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol
PubChem CID90669716
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol
SMILESCc1cc(C(O)CN2CCCCCC2)cc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C24H28N2O/c1-18-15-21(23(27)17-26-13-7-2-3-8-14-26)16-20-11-12-22(25-24(18)20)19-9-5-4-6-10-19/h4-6,9-12,15-16,23,27H,2-3,7-8,13-14,17H2,1H3
InChIKeyHJNWYQGJRFIKDD-UHFFFAOYSA-N
XLogP5.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol?
The IUPAC name of 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol (CID 90669716) is 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol.
What is the SMILES notation for 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol?
The canonical SMILES for 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol is Cc1cc(C(O)CN2CCCCCC2)cc2ccc(-c3ccccc3)nc12.
What is the InChIKey of 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol?
The InChIKey is HJNWYQGJRFIKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-18-15-21(23(27)17-26-13-7-2-3-8-14-26)16-20-11-12-22(25-24(18)20)19-9-5-4-6-10-19/h4-6,9-12,15-16,23,27H,2-3,7-8,13-14,17H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol?
2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol has a molecular weight of 360.50 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol is sourced from PubChem (CID 90669716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).