1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine

C17H23N3 — CID 63374160

IUPAC1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine
SMILESCNCc1cc(N2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-18-13-14-12-17(20-10-6-2-3-7-11-20)15-8-4-5-9-16(15)19-14/h4-5,8-9,12,18H,2-3,6-7,10-11,13H2,1H3
InChIKeyNIXKGSMGJHLIQL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.33
Rot. Bonds3

About 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine

1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine (PubChem CID 63374160) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine
PubChem CID63374160
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine
SMILESCNCc1cc(N2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-18-13-14-12-17(20-10-6-2-3-7-11-20)15-8-4-5-9-16(15)19-14/h4-5,8-9,12,18H,2-3,6-7,10-11,13H2,1H3
InChIKeyNIXKGSMGJHLIQL-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine (CID 63374160) is 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine is CNCc1cc(N2CCCCCC2)c2ccccc2n1.
What is the InChIKey of 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine?
The InChIKey is NIXKGSMGJHLIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-18-13-14-12-17(20-10-6-2-3-7-11-20)15-8-4-5-9-16(15)19-14/h4-5,8-9,12,18H,2-3,6-7,10-11,13H2,1H3.
What are the key properties of 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine?
1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63374160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).