[1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol

C16H21N3O — CID 116634008

IUPAC[1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol
SMILESNc1ccc(N2CCCCCC2CO)c2cccnc12
InChIInChI=1S/C16H21N3O/c17-14-7-8-15(13-6-4-9-18-16(13)14)19-10-3-1-2-5-12(19)11-20/h4,6-9,12,20H,1-3,5,10-11,17H2
InChIKeyDJKKXUCXWFWPAB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds2

About [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol

[1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol (PubChem CID 116634008) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol
PubChem CID116634008
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol
SMILESNc1ccc(N2CCCCCC2CO)c2cccnc12
InChIInChI=1S/C16H21N3O/c17-14-7-8-15(13-6-4-9-18-16(13)14)19-10-3-1-2-5-12(19)11-20/h4,6-9,12,20H,1-3,5,10-11,17H2
InChIKeyDJKKXUCXWFWPAB-UHFFFAOYSA-N
XLogP2.56
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol (CID 116634008) is [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol is Nc1ccc(N2CCCCCC2CO)c2cccnc12.
What is the InChIKey of [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol?
The InChIKey is DJKKXUCXWFWPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-14-7-8-15(13-6-4-9-18-16(13)14)19-10-3-1-2-5-12(19)11-20/h4,6-9,12,20H,1-3,5,10-11,17H2.
What are the key properties of [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol?
[1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116634008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).