4-(azepan-1-yl)-6-methylquinoline

C16H20N2 — CID 133466822

IUPAC4-(azepan-1-yl)-6-methylquinoline
SMILESCc1ccc2nccc(N3CCCCCC3)c2c1
InChIInChI=1S/C16H20N2/c1-13-6-7-15-14(12-13)16(8-9-17-15)18-10-4-2-3-5-11-18/h6-9,12H,2-5,10-11H2,1H3
InChIKeyQOIPSVWJYVGFOS-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.92
Rot. Bonds1

About 4-(azepan-1-yl)-6-methylquinoline

4-(azepan-1-yl)-6-methylquinoline (PubChem CID 133466822) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-methylquinoline.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-methylquinoline
PubChem CID133466822
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(azepan-1-yl)-6-methylquinoline
SMILESCc1ccc2nccc(N3CCCCCC3)c2c1
InChIInChI=1S/C16H20N2/c1-13-6-7-15-14(12-13)16(8-9-17-15)18-10-4-2-3-5-11-18/h6-9,12H,2-5,10-11H2,1H3
InChIKeyQOIPSVWJYVGFOS-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-methylquinoline?
The IUPAC name of 4-(azepan-1-yl)-6-methylquinoline (CID 133466822) is 4-(azepan-1-yl)-6-methylquinoline.
What is the SMILES notation for 4-(azepan-1-yl)-6-methylquinoline?
The canonical SMILES for 4-(azepan-1-yl)-6-methylquinoline is Cc1ccc2nccc(N3CCCCCC3)c2c1.
What is the InChIKey of 4-(azepan-1-yl)-6-methylquinoline?
The InChIKey is QOIPSVWJYVGFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-6-7-15-14(12-13)16(8-9-17-15)18-10-4-2-3-5-11-18/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of 4-(azepan-1-yl)-6-methylquinoline?
4-(azepan-1-yl)-6-methylquinoline has a molecular weight of 240.35 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-methylquinoline is sourced from PubChem (CID 133466822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).