1-ethyl-3-methylbenzo[f]indazole-4,9-dione

C14H12N2O2 — CID 501295

IUPAC1-ethyl-3-methylbenzo[f]indazole-4,9-dione
SMILESCCn1nc(C)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H12N2O2/c1-3-16-12-11(8(2)15-16)13(17)9-6-4-5-7-10(9)14(12)18/h4-7H,3H2,1-2H3
InChIKeyQMUCOSLHXVATBZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.99
Rot. Bonds1

About 1-ethyl-3-methylbenzo[f]indazole-4,9-dione

1-ethyl-3-methylbenzo[f]indazole-4,9-dione (PubChem CID 501295) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-ethyl-3-methylbenzo[f]indazole-4,9-dione.

Molecular Properties

Compound Name1-ethyl-3-methylbenzo[f]indazole-4,9-dione
PubChem CID501295
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-ethyl-3-methylbenzo[f]indazole-4,9-dione
SMILESCCn1nc(C)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H12N2O2/c1-3-16-12-11(8(2)15-16)13(17)9-6-4-5-7-10(9)14(12)18/h4-7H,3H2,1-2H3
InChIKeyQMUCOSLHXVATBZ-UHFFFAOYSA-N
XLogP1.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.99
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

1-(3-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione
CID 849734
1-(4-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione
CID 849735
2-(3,5-Dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
CID 90677359
2-(3,5-Dimethylpyrazol-1-yl)-1-naphthalen-1-ylethanone
CID 90677360
1-Methylbenzo[f]indazole-4,9-dione
CID 482520
N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide
CID 71525744
13-Benzyl-1,5-dimethyl-13,14-diazapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-12(19),14-diene-6,16-dione
CID 44353430
14-Benzyl-1,5-dimethyl-13,14-diazapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-12,15(19)-diene-6,16-dione
CID 44353435
1,5-dimethyl-13-[(E)-3-phenylprop-2-enyl]-13,14-diazapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-12(19),14-diene-6,16-dione
CID 44353437
1,5-dimethyl-14-[(E)-3-phenylprop-2-enyl]-13,14-diazapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-12,15(19)-diene-6,16-dione
CID 44353626
5-Bromo-1-methyl-benzo[f]indazole-4,9-dione
CID 501284
1,5-Dimethylbenzo[f]indazole-4,9-dione
CID 501286

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylbenzo[f]indazole-4,9-dione?
The IUPAC name of 1-ethyl-3-methylbenzo[f]indazole-4,9-dione (CID 501295) is 1-ethyl-3-methylbenzo[f]indazole-4,9-dione.
What is the SMILES notation for 1-ethyl-3-methylbenzo[f]indazole-4,9-dione?
The canonical SMILES for 1-ethyl-3-methylbenzo[f]indazole-4,9-dione is CCn1nc(C)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-ethyl-3-methylbenzo[f]indazole-4,9-dione?
The InChIKey is QMUCOSLHXVATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-3-16-12-11(8(2)15-16)13(17)9-6-4-5-7-10(9)14(12)18/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylbenzo[f]indazole-4,9-dione?
1-ethyl-3-methylbenzo[f]indazole-4,9-dione has a molecular weight of 240.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylbenzo[f]indazole-4,9-dione is sourced from PubChem (CID 501295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).