1,7-dimethylbenzo[f]indazole-4,9-dione

C13H10N2O2 — CID 501287

IUPAC1,7-dimethylbenzo[f]indazole-4,9-dione
SMILESCc1ccc2c(c1)C(=O)c1c(cnn1C)C2=O
InChIInChI=1S/C13H10N2O2/c1-7-3-4-8-9(5-7)13(17)11-10(12(8)16)6-14-15(11)2/h3-6H,1-2H3
InChIKeyGXQIWFXIXLCWBF-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.50
Rot. Bonds

About 1,7-dimethylbenzo[f]indazole-4,9-dione

1,7-dimethylbenzo[f]indazole-4,9-dione (PubChem CID 501287) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1,7-dimethylbenzo[f]indazole-4,9-dione.

Molecular Properties

Compound Name1,7-dimethylbenzo[f]indazole-4,9-dione
PubChem CID501287
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name1,7-dimethylbenzo[f]indazole-4,9-dione
SMILESCc1ccc2c(c1)C(=O)c1c(cnn1C)C2=O
InChIInChI=1S/C13H10N2O2/c1-7-3-4-8-9(5-7)13(17)11-10(12(8)16)6-14-15(11)2/h3-6H,1-2H3
InChIKeyGXQIWFXIXLCWBF-UHFFFAOYSA-N
XLogP1.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1-methyl-6,7-dihydro-5H-indazol-4-one
CID 44441218
2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
CID 166625899
1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
CID 166633142
1H-Benz(f)indazole-4,9-dione
CID 301369
1-Methylbenzo[f]indazole-4,9-dione
CID 482520
1-benzyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4738558
5-Bromo-1-methyl-benzo[f]indazole-4,9-dione
CID 501284
1,5-Dimethylbenzo[f]indazole-4,9-dione
CID 501286
1-Ethyl-3-methyl-benzo[f]indazole-4,9-dione
CID 501295
1-Benzylindazole-4,7-dione
CID 46861655
2-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazol-4-one
CID 166627167
1-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indazol-4-one
CID 166627248

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylbenzo[f]indazole-4,9-dione?
The IUPAC name of 1,7-dimethylbenzo[f]indazole-4,9-dione (CID 501287) is 1,7-dimethylbenzo[f]indazole-4,9-dione.
What is the SMILES notation for 1,7-dimethylbenzo[f]indazole-4,9-dione?
The canonical SMILES for 1,7-dimethylbenzo[f]indazole-4,9-dione is Cc1ccc2c(c1)C(=O)c1c(cnn1C)C2=O.
What is the InChIKey of 1,7-dimethylbenzo[f]indazole-4,9-dione?
The InChIKey is GXQIWFXIXLCWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7-3-4-8-9(5-7)13(17)11-10(12(8)16)6-14-15(11)2/h3-6H,1-2H3.
What are the key properties of 1,7-dimethylbenzo[f]indazole-4,9-dione?
1,7-dimethylbenzo[f]indazole-4,9-dione has a molecular weight of 226.23 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylbenzo[f]indazole-4,9-dione is sourced from PubChem (CID 501287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).