pyrimido[5,4-c]isoquinoline

C11H7N3 — CID 121477072

IUPACpyrimido[5,4-c]isoquinoline
SMILESc1ccc2c(c1)cnc1cncnc12
InChIInChI=1S/C11H7N3/c1-2-4-9-8(3-1)5-13-10-6-12-7-14-11(9)10/h1-7H
InChIKeyQGDRITRHIGQLAQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About pyrimido[5,4-c]isoquinoline

pyrimido[5,4-c]isoquinoline (PubChem CID 121477072) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is pyrimido[5,4-c]isoquinoline.

Molecular Properties

Compound Namepyrimido[5,4-c]isoquinoline
PubChem CID121477072
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Namepyrimido[5,4-c]isoquinoline
SMILESc1ccc2c(c1)cnc1cncnc12
InChIInChI=1S/C11H7N3/c1-2-4-9-8(3-1)5-13-10-6-12-7-14-11(9)10/h1-7H
InChIKeyQGDRITRHIGQLAQ-UHFFFAOYSA-N
XLogP2.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze pyrimido[5,4-c]isoquinoline 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 pyrimido[5,4-c]isoquinoline?
The IUPAC name of pyrimido[5,4-c]isoquinoline (CID 121477072) is pyrimido[5,4-c]isoquinoline.
What is the SMILES notation for pyrimido[5,4-c]isoquinoline?
The canonical SMILES for pyrimido[5,4-c]isoquinoline is c1ccc2c(c1)cnc1cncnc12.
What is the InChIKey of pyrimido[5,4-c]isoquinoline?
The InChIKey is QGDRITRHIGQLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-4-9-8(3-1)5-13-10-6-12-7-14-11(9)10/h1-7H.
What are the key properties of pyrimido[5,4-c]isoquinoline?
pyrimido[5,4-c]isoquinoline has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[5,4-c]isoquinoline is sourced from PubChem (CID 121477072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).