2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione

C22H12N4O2 — CID 102574417

IUPAC2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione
SMILESO=C1c2ccc(-c3ccccn3)nc2C(=O)c2nc(-c3ccccn3)ccc21
InChIInChI=1S/C22H12N4O2/c27-21-13-7-9-17(15-5-1-3-11-23-15)25-19(13)22(28)20-14(21)8-10-18(26-20)16-6-2-4-12-24-16/h1-12H
InChIKeyZQHAJKAGLTVIEO-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.38
Rot. Bonds2

About 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione

2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione (PubChem CID 102574417) has the molecular formula C22H12N4O2 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione.

Molecular Properties

Compound Name2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione
PubChem CID102574417
Molecular FormulaC22H12N4O2
Molecular Weight364.36 g/mol
Exact Mass364.10
IUPAC Name2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione
SMILESO=C1c2ccc(-c3ccccn3)nc2C(=O)c2nc(-c3ccccn3)ccc21
InChIInChI=1S/C22H12N4O2/c27-21-13-7-9-17(15-5-1-3-11-23-15)25-19(13)22(28)20-14(21)8-10-18(26-20)16-6-2-4-12-24-16/h1-12H
InChIKeyZQHAJKAGLTVIEO-UHFFFAOYSA-N
XLogP3.38
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione?
The IUPAC name of 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione (CID 102574417) is 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione.
What is the SMILES notation for 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione?
The canonical SMILES for 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione is O=C1c2ccc(-c3ccccn3)nc2C(=O)c2nc(-c3ccccn3)ccc21.
What is the InChIKey of 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione?
The InChIKey is ZQHAJKAGLTVIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N4O2/c27-21-13-7-9-17(15-5-1-3-11-23-15)25-19(13)22(28)20-14(21)8-10-18(26-20)16-6-2-4-12-24-16/h1-12H.
What are the key properties of 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione?
2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione has a molecular weight of 364.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dipyridin-2-ylpyrido[3,2-g]quinoline-5,10-dione is sourced from PubChem (CID 102574417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).