5-(4-methylpiperazin-1-yl)isoquinolin-8-amine

C14H18N4 — CID 43382735

IUPAC5-(4-methylpiperazin-1-yl)isoquinolin-8-amine
SMILESCN1CCN(c2ccc(N)c3cnccc23)CC1
InChIInChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)14-3-2-13(15)12-10-16-5-4-11(12)14/h2-5,10H,6-9,15H2,1H3
InChIKeyJSBMCQFQUJNWLL-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.57
Rot. Bonds1

About 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine

5-(4-methylpiperazin-1-yl)isoquinolin-8-amine (PubChem CID 43382735) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)isoquinolin-8-amine
PubChem CID43382735
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(4-methylpiperazin-1-yl)isoquinolin-8-amine
SMILESCN1CCN(c2ccc(N)c3cnccc23)CC1
InChIInChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)14-3-2-13(15)12-10-16-5-4-11(12)14/h2-5,10H,6-9,15H2,1H3
InChIKeyJSBMCQFQUJNWLL-UHFFFAOYSA-N
XLogP1.57
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine (CID 43382735) is 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine is CN1CCN(c2ccc(N)c3cnccc23)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine?
The InChIKey is JSBMCQFQUJNWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)14-3-2-13(15)12-10-16-5-4-11(12)14/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine?
5-(4-methylpiperazin-1-yl)isoquinolin-8-amine has a molecular weight of 242.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)isoquinolin-8-amine is sourced from PubChem (CID 43382735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).