2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one

C18H20N4O — CID 10403020

IUPAC2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one
SMILESCCN1CCN(c2cc(=O)n3ccc4ccccc4c3n2)CC1
InChIInChI=1S/C18H20N4O/c1-2-20-9-11-21(12-10-20)16-13-17(23)22-8-7-14-5-3-4-6-15(14)18(22)19-16/h3-8,13H,2,9-12H2,1H3
InChIKeyCJNSAMKLCJKCHB-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.99
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one

2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one (PubChem CID 10403020) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one
PubChem CID10403020
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one
SMILESCCN1CCN(c2cc(=O)n3ccc4ccccc4c3n2)CC1
InChIInChI=1S/C18H20N4O/c1-2-20-9-11-21(12-10-20)16-13-17(23)22-8-7-14-5-3-4-6-15(14)18(22)19-16/h3-8,13H,2,9-12H2,1H3
InChIKeyCJNSAMKLCJKCHB-UHFFFAOYSA-N
XLogP1.99
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one 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 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one (CID 10403020) is 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one is CCN1CCN(c2cc(=O)n3ccc4ccccc4c3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one?
The InChIKey is CJNSAMKLCJKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-20-9-11-21(12-10-20)16-13-17(23)22-8-7-14-5-3-4-6-15(14)18(22)19-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one?
2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one has a molecular weight of 308.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)pyrimido[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 10403020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).