N-(6-methyl-3-pyridinyl)isoquinolin-7-amine

C15H13N3 — CID 160767856

IUPACN-(6-methyl-3-pyridinyl)isoquinolin-7-amine
SMILESCc1ccc(Nc2ccc3ccncc3c2)cn1
InChIInChI=1S/C15H13N3/c1-11-2-4-15(10-17-11)18-14-5-3-12-6-7-16-9-13(12)8-14/h2-10,18H,1H3
InChIKeyHTHPTYKIACISNB-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.68
Rot. Bonds2

About N-(6-methyl-3-pyridinyl)isoquinolin-7-amine

N-(6-methyl-3-pyridinyl)isoquinolin-7-amine (PubChem CID 160767856) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)isoquinolin-7-amine.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)isoquinolin-7-amine
PubChem CID160767856
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC NameN-(6-methyl-3-pyridinyl)isoquinolin-7-amine
SMILESCc1ccc(Nc2ccc3ccncc3c2)cn1
InChIInChI=1S/C15H13N3/c1-11-2-4-15(10-17-11)18-14-5-3-12-6-7-16-9-13(12)8-14/h2-10,18H,1H3
InChIKeyHTHPTYKIACISNB-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-methyl-3-pyridinyl)isoquinolin-7-amine 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 N-(6-methyl-3-pyridinyl)isoquinolin-7-amine?
The IUPAC name of N-(6-methyl-3-pyridinyl)isoquinolin-7-amine (CID 160767856) is N-(6-methyl-3-pyridinyl)isoquinolin-7-amine.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)isoquinolin-7-amine?
The canonical SMILES for N-(6-methyl-3-pyridinyl)isoquinolin-7-amine is Cc1ccc(Nc2ccc3ccncc3c2)cn1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)isoquinolin-7-amine?
The InChIKey is HTHPTYKIACISNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-2-4-15(10-17-11)18-14-5-3-12-6-7-16-9-13(12)8-14/h2-10,18H,1H3.
What are the key properties of N-(6-methyl-3-pyridinyl)isoquinolin-7-amine?
N-(6-methyl-3-pyridinyl)isoquinolin-7-amine has a molecular weight of 235.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)isoquinolin-7-amine is sourced from PubChem (CID 160767856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).