6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione

C23H12N4O6 — CID 139216877

IUPAC6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESO=C1c2c(-c3ccccc3)nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c2C(=O)N1c1ccccc1
InChIInChI=1S/C23H12N4O6/c28-22-18-16-11-15(26(30)31)12-17(27(32)33)21(16)24-20(13-7-3-1-4-8-13)19(18)23(29)25(22)14-9-5-2-6-10-14/h1-12H
InChIKeyGDZBOQGWQYHKBF-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.52
Rot. Bonds4

About 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione

6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 139216877) has the molecular formula C23H12N4O6 and a molecular weight of 440.37 g/mol. Its IUPAC name is 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID139216877
Molecular FormulaC23H12N4O6
Molecular Weight440.37 g/mol
Exact Mass440.08
IUPAC Name6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESO=C1c2c(-c3ccccc3)nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c2C(=O)N1c1ccccc1
InChIInChI=1S/C23H12N4O6/c28-22-18-16-11-15(26(30)31)12-17(27(32)33)21(16)24-20(13-7-3-1-4-8-13)19(18)23(29)25(22)14-9-5-2-6-10-14/h1-12H
InChIKeyGDZBOQGWQYHKBF-UHFFFAOYSA-N
XLogP4.52
TPSA136.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
CID 24796801
3,5-dinitro-2-phenylpyridine
CID 14948543
5-nitro-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 871569
2,4-dichloro-6,8-dinitroquinazoline
CID 155490280
2-(4-methoxyphenoxy)-5,7-dinitro-3-phenylquinoxaline
CID 42605010
3-amino-7-nitro-2,4-diphenylisoquinolin-1-one
CID 15696009
4-nitro-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione
CID 1364790
1,3-dinitrophenazine
CID 78388402
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
6,8-dinitroquinoline
CID 11106850
5-nitro-3-phenylindazol-1-amine
CID 134910169

Frequently Asked Questions

What is the IUPAC name of 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione (CID 139216877) is 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione is O=C1c2c(-c3ccccc3)nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c2C(=O)N1c1ccccc1.
What is the InChIKey of 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is GDZBOQGWQYHKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12N4O6/c28-22-18-16-11-15(26(30)31)12-17(27(32)33)21(16)24-20(13-7-3-1-4-8-13)19(18)23(29)25(22)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione?
6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 440.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 139216877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).