N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine

C15H20N4 — CID 71453451

IUPACN-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine
SMILESCNc1nc(N2CCN(C)CC2)cc2ccccc12
InChIInChI=1S/C15H20N4/c1-16-15-13-6-4-3-5-12(13)11-14(17-15)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyWJMAMTPJNQQNJJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.03
Rot. Bonds2

About N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine

N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine (PubChem CID 71453451) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine
PubChem CID71453451
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine
SMILESCNc1nc(N2CCN(C)CC2)cc2ccccc12
InChIInChI=1S/C15H20N4/c1-16-15-13-6-4-3-5-12(13)11-14(17-15)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyWJMAMTPJNQQNJJ-UHFFFAOYSA-N
XLogP2.03
TPSA31.40 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine?
The IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine (CID 71453451) is N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine?
The canonical SMILES for N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine is CNc1nc(N2CCN(C)CC2)cc2ccccc12.
What is the InChIKey of N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine?
The InChIKey is WJMAMTPJNQQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-15-13-6-4-3-5-12(13)11-14(17-15)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine?
N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-amine is sourced from PubChem (CID 71453451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).