4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine

C17H23ClN2O — CID 71517559

IUPAC4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H23ClN2O/c1-3-20(4-2)12-5-6-13-21-16-10-9-15(18)14-8-7-11-19-17(14)16/h7-11H,3-6,12-13H2,1-2H3
InChIKeyUUVQNFRVRUEVPX-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.39
Rot. Bonds8

About 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine

4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine (PubChem CID 71517559) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine
PubChem CID71517559
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H23ClN2O/c1-3-20(4-2)12-5-6-13-21-16-10-9-15(18)14-8-7-11-19-17(14)16/h7-11H,3-6,12-13H2,1-2H3
InChIKeyUUVQNFRVRUEVPX-UHFFFAOYSA-N
XLogP4.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.39
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 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine?
The IUPAC name of 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine (CID 71517559) is 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine is CCN(CC)CCCCOc1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine?
The InChIKey is UUVQNFRVRUEVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-3-20(4-2)12-5-6-13-21-16-10-9-15(18)14-8-7-11-19-17(14)16/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine?
4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine has a molecular weight of 306.84 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloroquinolin-8-yl)oxy-N,N-diethylbutan-1-amine is sourced from PubChem (CID 71517559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).