6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine

C21H13N3O2 — CID 127030341

IUPAC6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine
SMILESO=[N+]([O-])c1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C21H13N3O2/c25-24(26)15-9-7-13(8-10-15)20-17-12-14-4-1-2-5-16(14)19(17)21-18(23-20)6-3-11-22-21/h1-11H,12H2
InChIKeyCEESOKOWPZSBEF-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.78
Rot. Bonds2

About 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine

6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine (PubChem CID 127030341) has the molecular formula C21H13N3O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine.

Molecular Properties

Compound Name6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine
PubChem CID127030341
Molecular FormulaC21H13N3O2
Molecular Weight339.35 g/mol
Exact Mass339.10
IUPAC Name6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine
SMILESO=[N+]([O-])c1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C21H13N3O2/c25-24(26)15-9-7-13(8-10-15)20-17-12-14-4-1-2-5-16(14)19(17)21-18(23-20)6-3-11-22-21/h1-11H,12H2
InChIKeyCEESOKOWPZSBEF-UHFFFAOYSA-N
XLogP4.78
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Pyridylmethyl)-8-(3-nitrophenyl)quinoline
CID 9819356
6-Phenyl-8-(3-nitrophenyl)-1,7-naphthyridine
CID 10711281
2-(3-Nitrophenyl)quinoxaline
CID 737736
2-(4-Nitrophenyl)quinoxaline
CID 761838
2-Nitrobenzo[f]quinoline
CID 254007
4-(2,4-Difluorophenyl)-8-(2,6-dimethylphenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24899731
4-(2,4-Difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24899732
p38 MAPK-IN-1
CID 24899733
4-(2,4-Difluorophenyl)-8-(2-fluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24900231
Eupolauridine N-oxide
CID 460765
Quinoline, 4-(p-nitrostyryl)-
CID 5378008
6-Nitro-5-[2-(6-nitroquinolin-5-yl)ethyl]quinoline
CID 387119

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine?
The IUPAC name of 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine (CID 127030341) is 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine.
What is the SMILES notation for 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine?
The canonical SMILES for 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine is O=[N+]([O-])c1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine?
The InChIKey is CEESOKOWPZSBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2/c25-24(26)15-9-7-13(8-10-15)20-17-12-14-4-1-2-5-16(14)19(17)21-18(23-20)6-3-11-22-21/h1-11H,12H2.
What are the key properties of 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine?
6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine has a molecular weight of 339.35 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)-7H-indeno[2,1-c][1,5]naphthyridine is sourced from PubChem (CID 127030341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).