6-(azepan-4-yloxy)quinoline

C15H18N2O — CID 117051458

IUPAC6-(azepan-4-yloxy)quinoline
SMILESc1cnc2ccc(OC3CCCNCC3)cc2c1
InChIInChI=1S/C15H18N2O/c1-3-12-11-14(5-6-15(12)17-9-1)18-13-4-2-8-16-10-7-13/h1,3,5-6,9,11,13,16H,2,4,7-8,10H2
InChIKeyQMTPXGZSJMGZPQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.76
Rot. Bonds2

About 6-(azepan-4-yloxy)quinoline

6-(azepan-4-yloxy)quinoline (PubChem CID 117051458) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-(azepan-4-yloxy)quinoline.

Molecular Properties

Compound Name6-(azepan-4-yloxy)quinoline
PubChem CID117051458
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-(azepan-4-yloxy)quinoline
SMILESc1cnc2ccc(OC3CCCNCC3)cc2c1
InChIInChI=1S/C15H18N2O/c1-3-12-11-14(5-6-15(12)17-9-1)18-13-4-2-8-16-10-7-13/h1,3,5-6,9,11,13,16H,2,4,7-8,10H2
InChIKeyQMTPXGZSJMGZPQ-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-4-yloxy)quinoline?
The IUPAC name of 6-(azepan-4-yloxy)quinoline (CID 117051458) is 6-(azepan-4-yloxy)quinoline.
What is the SMILES notation for 6-(azepan-4-yloxy)quinoline?
The canonical SMILES for 6-(azepan-4-yloxy)quinoline is c1cnc2ccc(OC3CCCNCC3)cc2c1.
What is the InChIKey of 6-(azepan-4-yloxy)quinoline?
The InChIKey is QMTPXGZSJMGZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-12-11-14(5-6-15(12)17-9-1)18-13-4-2-8-16-10-7-13/h1,3,5-6,9,11,13,16H,2,4,7-8,10H2.
What are the key properties of 6-(azepan-4-yloxy)quinoline?
6-(azepan-4-yloxy)quinoline has a molecular weight of 242.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-4-yloxy)quinoline is sourced from PubChem (CID 117051458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).