[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine

C16H22N4 — CID 63620935

IUPAC[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine
SMILESCC1CN(c2cc(CN)nc3ccccc23)CCN1C
InChIInChI=1S/C16H22N4/c1-12-11-20(8-7-19(12)2)16-9-13(10-17)18-15-6-4-3-5-14(15)16/h3-6,9,12H,7-8,10-11,17H2,1-2H3
InChIKeyXKZSHNWFOVZKJV-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.83
Rot. Bonds2

About [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine

[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine (PubChem CID 63620935) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine
PubChem CID63620935
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine
SMILESCC1CN(c2cc(CN)nc3ccccc23)CCN1C
InChIInChI=1S/C16H22N4/c1-12-11-20(8-7-19(12)2)16-9-13(10-17)18-15-6-4-3-5-14(15)16/h3-6,9,12H,7-8,10-11,17H2,1-2H3
InChIKeyXKZSHNWFOVZKJV-UHFFFAOYSA-N
XLogP1.83
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine 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 [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine?
The IUPAC name of [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine (CID 63620935) is [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine is CC1CN(c2cc(CN)nc3ccccc23)CCN1C.
What is the InChIKey of [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine?
The InChIKey is XKZSHNWFOVZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-11-20(8-7-19(12)2)16-9-13(10-17)18-15-6-4-3-5-14(15)16/h3-6,9,12H,7-8,10-11,17H2,1-2H3.
What are the key properties of [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine?
[4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylpiperazin-1-yl)quinolin-2-yl]methanamine is sourced from PubChem (CID 63620935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).