6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine

C19H27ClN2O — CID 24881604

IUPAC6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine
SMILESCCN(CC)CCCCCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN2O/c1-3-22(4-2)13-7-5-6-8-14-23-19-11-12-21-18-15-16(20)9-10-17(18)19/h9-12,15H,3-8,13-14H2,1-2H3
InChIKeyXVPKEGOSIGOJME-UHFFFAOYSA-N
MW334.89 g/mol
LogP5.17
Rot. Bonds10

About 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine

6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine (PubChem CID 24881604) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine.

Molecular Properties

Compound Name6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine
PubChem CID24881604
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine
SMILESCCN(CC)CCCCCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN2O/c1-3-22(4-2)13-7-5-6-8-14-23-19-11-12-21-18-15-16(20)9-10-17(18)19/h9-12,15H,3-8,13-14H2,1-2H3
InChIKeyXVPKEGOSIGOJME-UHFFFAOYSA-N
XLogP5.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.89
LogP ≤ 55.17
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 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine?
The IUPAC name of 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine (CID 24881604) is 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine.
What is the SMILES notation for 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine?
The canonical SMILES for 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine is CCN(CC)CCCCCCOc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine?
The InChIKey is XVPKEGOSIGOJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-3-22(4-2)13-7-5-6-8-14-23-19-11-12-21-18-15-16(20)9-10-17(18)19/h9-12,15H,3-8,13-14H2,1-2H3.
What are the key properties of 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine?
6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine has a molecular weight of 334.89 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloroquinolin-4-yl)oxy-N,N-diethylhexan-1-amine is sourced from PubChem (CID 24881604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).