8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine

C16H13ClN4 — CID 135342888

IUPAC8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine
SMILESNc1cc2cc(-c3cnncc3C3CC3)cc(Cl)c2cn1
InChIInChI=1S/C16H13ClN4/c17-15-4-10(3-11-5-16(18)19-6-14(11)15)13-8-21-20-7-12(13)9-1-2-9/h3-9H,1-2H2,(H2,18,19)
InChIKeyQOWRANGAENQXAP-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.80
Rot. Bonds2

About 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine

8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine (PubChem CID 135342888) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound Name8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine
PubChem CID135342888
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine
SMILESNc1cc2cc(-c3cnncc3C3CC3)cc(Cl)c2cn1
InChIInChI=1S/C16H13ClN4/c17-15-4-10(3-11-5-16(18)19-6-14(11)15)13-8-21-20-7-12(13)9-1-2-9/h3-9H,1-2H2,(H2,18,19)
InChIKeyQOWRANGAENQXAP-UHFFFAOYSA-N
XLogP3.80
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-chloro-6-(5-cyclopropylpyridazin-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 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine?
The IUPAC name of 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine (CID 135342888) is 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine.
What is the SMILES notation for 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine?
The canonical SMILES for 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine is Nc1cc2cc(-c3cnncc3C3CC3)cc(Cl)c2cn1.
What is the InChIKey of 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine?
The InChIKey is QOWRANGAENQXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c17-15-4-10(3-11-5-16(18)19-6-14(11)15)13-8-21-20-7-12(13)9-1-2-9/h3-9H,1-2H2,(H2,18,19).
What are the key properties of 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine?
8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine has a molecular weight of 296.76 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(5-cyclopropylpyridazin-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 135342888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).