1,10-dihydro-1,10-phenanthroline-4,7-dione

C24H16N4O4 — CID 158267302

IUPAC1,10-dihydro-1,10-phenanthroline-4,7-dione
SMILESO=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12.O=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12
InChIInChI=1S/2C12H8N2O2/c2*15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h2*1-6H,(H,13,15)(H,14,16)
InChIKeyGIPKMVLEBWGEGX-UHFFFAOYSA-N
MW424.42 g/mol
LogP2.74
Rot. Bonds

About 1,10-dihydro-1,10-phenanthroline-4,7-dione

1,10-dihydro-1,10-phenanthroline-4,7-dione (PubChem CID 158267302) has the molecular formula C24H16N4O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 1,10-dihydro-1,10-phenanthroline-4,7-dione.

Molecular Properties

Compound Name1,10-dihydro-1,10-phenanthroline-4,7-dione
PubChem CID158267302
Molecular FormulaC24H16N4O4
Molecular Weight424.42 g/mol
Exact Mass424.12
IUPAC Name1,10-dihydro-1,10-phenanthroline-4,7-dione
SMILESO=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12.O=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12
InChIInChI=1S/2C12H8N2O2/c2*15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h2*1-6H,(H,13,15)(H,14,16)
InChIKeyGIPKMVLEBWGEGX-UHFFFAOYSA-N
XLogP2.74
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,10-dihydro-1,10-phenanthroline-4,7-dione;tris(1,3-diphenylpropane-1,3-dione)
CID 160513391
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
8-ethyl-7-methyl-1H-quinolin-4-one
CID 165442308
methyl 8-chloro-4-oxo-1H-quinoline-7-carboxylate
CID 24813935
6-chloro-1H-benzo[h]quinolin-4-one
CID 23269753
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
8-(2H-triazol-4-yl)-1H-quinolin-4-one
CID 67815890
8-cyclopentyloxy-7-methoxy-1H-quinolin-4-one
CID 69020600
8-(3-bromoprop-1-enyl)-1H-quinolin-4-one
CID 169476193
benzene;1H-quinolin-4-one
CID 175272043
3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
CID 53412536
8-amino-5-chloro-1H-quinolin-4-one
CID 155815463

Frequently Asked Questions

What is the IUPAC name of 1,10-dihydro-1,10-phenanthroline-4,7-dione?
The IUPAC name of 1,10-dihydro-1,10-phenanthroline-4,7-dione (CID 158267302) is 1,10-dihydro-1,10-phenanthroline-4,7-dione.
What is the SMILES notation for 1,10-dihydro-1,10-phenanthroline-4,7-dione?
The canonical SMILES for 1,10-dihydro-1,10-phenanthroline-4,7-dione is O=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12.O=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12.
What is the InChIKey of 1,10-dihydro-1,10-phenanthroline-4,7-dione?
The InChIKey is GIPKMVLEBWGEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O2/c2*15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h2*1-6H,(H,13,15)(H,14,16).
What are the key properties of 1,10-dihydro-1,10-phenanthroline-4,7-dione?
1,10-dihydro-1,10-phenanthroline-4,7-dione has a molecular weight of 424.42 g/mol, XLogP of 2.74, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dihydro-1,10-phenanthroline-4,7-dione is sourced from PubChem (CID 158267302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).