3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine

C16H21ClN2O — CID 24881537

IUPAC3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H21ClN2O/c1-3-19(4-2)10-5-11-20-16-8-9-18-15-12-13(17)6-7-14(15)16/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyQVPCFVMMDHTXJS-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.00
Rot. Bonds7

About 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine

3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine (PubChem CID 24881537) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine
PubChem CID24881537
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H21ClN2O/c1-3-19(4-2)10-5-11-20-16-8-9-18-15-12-13(17)6-7-14(15)16/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyQVPCFVMMDHTXJS-UHFFFAOYSA-N
XLogP4.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine (CID 24881537) is 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine is CCN(CC)CCCOc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine?
The InChIKey is QVPCFVMMDHTXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-19(4-2)10-5-11-20-16-8-9-18-15-12-13(17)6-7-14(15)16/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine?
3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroquinolin-4-yl)oxy-N,N-diethylpropan-1-amine is sourced from PubChem (CID 24881537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).