6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine

C14H13N3 — CID 138580039

IUPAC6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine
SMILESCC1=NC=C(c2ccc3cnc(N)cc3c2)C1
InChIInChI=1S/C14H13N3/c1-9-4-13(8-16-9)10-2-3-11-7-17-14(15)6-12(11)5-10/h2-3,5-8H,4H2,1H3,(H2,15,17)
InChIKeyGKWHPRHQOYQSML-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.02
Rot. Bonds1

About 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine

6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine (PubChem CID 138580039) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound Name6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine
PubChem CID138580039
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine
SMILESCC1=NC=C(c2ccc3cnc(N)cc3c2)C1
InChIInChI=1S/C14H13N3/c1-9-4-13(8-16-9)10-2-3-11-7-17-14(15)6-12(11)5-10/h2-3,5-8H,4H2,1H3,(H2,15,17)
InChIKeyGKWHPRHQOYQSML-UHFFFAOYSA-N
XLogP3.02
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-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 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine?
The IUPAC name of 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine (CID 138580039) is 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine?
The canonical SMILES for 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine is CC1=NC=C(c2ccc3cnc(N)cc3c2)C1.
What is the InChIKey of 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine?
The InChIKey is GKWHPRHQOYQSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-4-13(8-16-9)10-2-3-11-7-17-14(15)6-12(11)5-10/h2-3,5-8H,4H2,1H3,(H2,15,17).
What are the key properties of 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine?
6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine has a molecular weight of 223.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 138580039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).