7-(2-methylazepan-2-yl)quinoline

C16H20N2 — CID 81231212

IUPAC7-(2-methylazepan-2-yl)quinoline
SMILESCC1(c2ccc3cccnc3c2)CCCCCN1
InChIInChI=1S/C16H20N2/c1-16(9-3-2-4-11-18-16)14-8-7-13-6-5-10-17-15(13)12-14/h5-8,10,12,18H,2-4,9,11H2,1H3
InChIKeyUWXJRQDWHJQYPW-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.61
Rot. Bonds1

About 7-(2-methylazepan-2-yl)quinoline

7-(2-methylazepan-2-yl)quinoline (PubChem CID 81231212) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 7-(2-methylazepan-2-yl)quinoline.

Molecular Properties

Compound Name7-(2-methylazepan-2-yl)quinoline
PubChem CID81231212
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name7-(2-methylazepan-2-yl)quinoline
SMILESCC1(c2ccc3cccnc3c2)CCCCCN1
InChIInChI=1S/C16H20N2/c1-16(9-3-2-4-11-18-16)14-8-7-13-6-5-10-17-15(13)12-14/h5-8,10,12,18H,2-4,9,11H2,1H3
InChIKeyUWXJRQDWHJQYPW-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylazepan-2-yl)quinoline?
The IUPAC name of 7-(2-methylazepan-2-yl)quinoline (CID 81231212) is 7-(2-methylazepan-2-yl)quinoline.
What is the SMILES notation for 7-(2-methylazepan-2-yl)quinoline?
The canonical SMILES for 7-(2-methylazepan-2-yl)quinoline is CC1(c2ccc3cccnc3c2)CCCCCN1.
What is the InChIKey of 7-(2-methylazepan-2-yl)quinoline?
The InChIKey is UWXJRQDWHJQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(9-3-2-4-11-18-16)14-8-7-13-6-5-10-17-15(13)12-14/h5-8,10,12,18H,2-4,9,11H2,1H3.
What are the key properties of 7-(2-methylazepan-2-yl)quinoline?
7-(2-methylazepan-2-yl)quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylazepan-2-yl)quinoline is sourced from PubChem (CID 81231212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).