5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine

C18H25ClN2O — CID 24881538

IUPAC5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN2O/c1-3-21(4-2)12-6-5-7-13-22-18-10-11-20-17-14-15(19)8-9-16(17)18/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyAMLDDGBWAUAPDJ-UHFFFAOYSA-N
MW320.86 g/mol
LogP4.78
Rot. Bonds9

About 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine

5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine (PubChem CID 24881538) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine.

Molecular Properties

Compound Name5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine
PubChem CID24881538
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN2O/c1-3-21(4-2)12-6-5-7-13-22-18-10-11-20-17-14-15(19)8-9-16(17)18/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyAMLDDGBWAUAPDJ-UHFFFAOYSA-N
XLogP4.78
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine?
The IUPAC name of 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine (CID 24881538) is 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine.
What is the SMILES notation for 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine?
The canonical SMILES for 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine is CCN(CC)CCCCCOc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine?
The InChIKey is AMLDDGBWAUAPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-3-21(4-2)12-6-5-7-13-22-18-10-11-20-17-14-15(19)8-9-16(17)18/h8-11,14H,3-7,12-13H2,1-2H3.
What are the key properties of 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine?
5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine has a molecular weight of 320.86 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine is sourced from PubChem (CID 24881538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).