3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine

C15H20N4 — CID 62178935

IUPAC3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine
SMILESCN1CCN(Cc2cc3ccccc3nc2N)CC1
InChIInChI=1S/C15H20N4/c1-18-6-8-19(9-7-18)11-13-10-12-4-2-3-5-14(12)17-15(13)16/h2-5,10H,6-9,11H2,1H3,(H2,16,17)
InChIKeyIXFBLWVVAYPPSE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.56
Rot. Bonds2

About 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine

3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine (PubChem CID 62178935) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine
PubChem CID62178935
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine
SMILESCN1CCN(Cc2cc3ccccc3nc2N)CC1
InChIInChI=1S/C15H20N4/c1-18-6-8-19(9-7-18)11-13-10-12-4-2-3-5-14(12)17-15(13)16/h2-5,10H,6-9,11H2,1H3,(H2,16,17)
InChIKeyIXFBLWVVAYPPSE-UHFFFAOYSA-N
XLogP1.56
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine (CID 62178935) is 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine is CN1CCN(Cc2cc3ccccc3nc2N)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine?
The InChIKey is IXFBLWVVAYPPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-6-8-19(9-7-18)11-13-10-12-4-2-3-5-14(12)17-15(13)16/h2-5,10H,6-9,11H2,1H3,(H2,16,17).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine?
3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 62178935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).