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

C23H26N2O — CID 90669719

IUPAC2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol
SMILESOC(CN1CCCCCC1)c1cccc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C23H26N2O/c26-22(17-25-15-6-1-2-7-16-25)20-12-8-11-19-13-14-21(24-23(19)20)18-9-4-3-5-10-18/h3-5,8-14,22,26H,1-2,6-7,15-17H2
InChIKeyQKLXUJMTJSMKQH-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.81
Rot. Bonds4

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

2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol (PubChem CID 90669719) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol
PubChem CID90669719
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol
SMILESOC(CN1CCCCCC1)c1cccc2ccc(-c3ccccc3)nc12
InChIInChI=1S/C23H26N2O/c26-22(17-25-15-6-1-2-7-16-25)20-12-8-11-19-13-14-21(24-23(19)20)18-9-4-3-5-10-18/h3-5,8-14,22,26H,1-2,6-7,15-17H2
InChIKeyQKLXUJMTJSMKQH-UHFFFAOYSA-N
XLogP4.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4046
CID 4046
CID 65329
CID 65329
CID 3655
CID 3655
CID 40692
CID 40692
CID 456309
CID 456309
CID 60601
CID 60601
CID 3025610
CID 3025610
CID 3025614
CID 3025614
CID 3025619
CID 3025619
CID 3025626
CID 3025626
CID 179850
CID 179850
CID 3025609
CID 3025609

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol?
The IUPAC name of 2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol (CID 90669719) is 2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol?
The canonical SMILES for 2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol is OC(CN1CCCCCC1)c1cccc2ccc(-c3ccccc3)nc12.
What is the InChIKey of 2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol?
The InChIKey is QKLXUJMTJSMKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-22(17-25-15-6-1-2-7-16-25)20-12-8-11-19-13-14-21(24-23(19)20)18-9-4-3-5-10-18/h3-5,8-14,22,26H,1-2,6-7,15-17H2.
What are the key properties of 2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol?
2-(azepan-1-yl)-1-(2-phenylquinolin-8-yl)ethanol has a molecular weight of 346.47 g/mol, XLogP of 4.81, 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-(2-phenylquinolin-8-yl)ethanol is sourced from PubChem (CID 90669719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).