1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione

C14H8N4O2 — CID 136739967

IUPAC1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione
SMILESO=c1ccnc2c3nccc(=O)c3c3[nH]cc[nH]c3c12
InChIInChI=1S/C14H8N4O2/c19-7-1-3-15-11-9(7)13-14(18-6-5-17-13)10-8(20)2-4-16-12(10)11/h1-6,17-18H
InChIKeyCSSQERASTFHLHB-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.31
Rot. Bonds

About 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione

1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione (PubChem CID 136739967) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione.

Molecular Properties

Compound Name1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione
PubChem CID136739967
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione
SMILESO=c1ccnc2c3nccc(=O)c3c3[nH]cc[nH]c3c12
InChIInChI=1S/C14H8N4O2/c19-7-1-3-15-11-9(7)13-14(18-6-5-17-13)10-8(20)2-4-16-12(10)11/h1-6,17-18H
InChIKeyCSSQERASTFHLHB-UHFFFAOYSA-N
XLogP1.31
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione 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 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione?
The IUPAC name of 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione (CID 136739967) is 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione.
What is the SMILES notation for 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione?
The canonical SMILES for 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione is O=c1ccnc2c3nccc(=O)c3c3[nH]cc[nH]c3c12.
What is the InChIKey of 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione?
The InChIKey is CSSQERASTFHLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c19-7-1-3-15-11-9(7)13-14(18-6-5-17-13)10-8(20)2-4-16-12(10)11/h1-6,17-18H.
What are the key properties of 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione?
1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione has a molecular weight of 264.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione is sourced from PubChem (CID 136739967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).