5-(8-aminoquinolin-5-yl)oxypentanenitrile

C14H15N3O — CID 116524781

IUPAC5-(8-aminoquinolin-5-yl)oxypentanenitrile
SMILESN#CCCCCOc1ccc(N)c2ncccc12
InChIInChI=1S/C14H15N3O/c15-8-2-1-3-10-18-13-7-6-12(16)14-11(13)5-4-9-17-14/h4-7,9H,1-3,10,16H2
InChIKeyXGXRYEBTAYTCLI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.89
Rot. Bonds5

About 5-(8-aminoquinolin-5-yl)oxypentanenitrile

5-(8-aminoquinolin-5-yl)oxypentanenitrile (PubChem CID 116524781) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(8-aminoquinolin-5-yl)oxypentanenitrile.

Molecular Properties

Compound Name5-(8-aminoquinolin-5-yl)oxypentanenitrile
PubChem CID116524781
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(8-aminoquinolin-5-yl)oxypentanenitrile
SMILESN#CCCCCOc1ccc(N)c2ncccc12
InChIInChI=1S/C14H15N3O/c15-8-2-1-3-10-18-13-7-6-12(16)14-11(13)5-4-9-17-14/h4-7,9H,1-3,10,16H2
InChIKeyXGXRYEBTAYTCLI-UHFFFAOYSA-N
XLogP2.89
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(8-aminoquinolin-5-yl)oxypentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-propan-2-yloxyquinolin-8-amine
CID 43449641
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
(8-aminoquinolin-5-yl) thiocyanate
CID 115327856
2-[(8-aminoquinolin-5-yl)-(cyanomethyl)amino]acetonitrile
CID 43382828
5-(thiophen-3-ylmethoxy)quinolin-8-amine
CID 116524803

Frequently Asked Questions

What is the IUPAC name of 5-(8-aminoquinolin-5-yl)oxypentanenitrile?
The IUPAC name of 5-(8-aminoquinolin-5-yl)oxypentanenitrile (CID 116524781) is 5-(8-aminoquinolin-5-yl)oxypentanenitrile.
What is the SMILES notation for 5-(8-aminoquinolin-5-yl)oxypentanenitrile?
The canonical SMILES for 5-(8-aminoquinolin-5-yl)oxypentanenitrile is N#CCCCCOc1ccc(N)c2ncccc12.
What is the InChIKey of 5-(8-aminoquinolin-5-yl)oxypentanenitrile?
The InChIKey is XGXRYEBTAYTCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-8-2-1-3-10-18-13-7-6-12(16)14-11(13)5-4-9-17-14/h4-7,9H,1-3,10,16H2.
What are the key properties of 5-(8-aminoquinolin-5-yl)oxypentanenitrile?
5-(8-aminoquinolin-5-yl)oxypentanenitrile has a molecular weight of 241.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-aminoquinolin-5-yl)oxypentanenitrile is sourced from PubChem (CID 116524781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).