3-methyl-1H-benzo[g]quinoline-2,5,10-trione

C14H9NO3 — CID 10130968

IUPAC3-methyl-1H-benzo[g]quinoline-2,5,10-trione
SMILESCc1cc2c([nH]c1=O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO3/c1-7-6-10-11(15-14(7)18)13(17)9-5-3-2-4-8(9)12(10)16/h2-6H,1H3,(H,15,18)
InChIKeyKRLJQWUULZPLRD-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.46
Rot. Bonds

About 3-methyl-1H-benzo[g]quinoline-2,5,10-trione

3-methyl-1H-benzo[g]quinoline-2,5,10-trione (PubChem CID 10130968) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-methyl-1H-benzo[g]quinoline-2,5,10-trione.

Molecular Properties

Compound Name3-methyl-1H-benzo[g]quinoline-2,5,10-trione
PubChem CID10130968
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name3-methyl-1H-benzo[g]quinoline-2,5,10-trione
SMILESCc1cc2c([nH]c1=O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO3/c1-7-6-10-11(15-14(7)18)13(17)9-5-3-2-4-8(9)12(10)16/h2-6H,1H3,(H,15,18)
InChIKeyKRLJQWUULZPLRD-UHFFFAOYSA-N
XLogP1.46
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dihydrobenzo[g]quinoxaline-2,3,5,10-tetrone
CID 121014847
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 118316459
2-chloro-3-methylanthracene-9,10-dione;2,3-dichloroanthracene-9,10-dione
CID 162025224
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
CID 11807923
2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione
CID 15817926
2,3-dimethylbenzo[g]quinoline-5,10-dione
CID 154523393
2-acetyl-3-methylanthracene-9,10-dione
CID 141079935

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The IUPAC name of 3-methyl-1H-benzo[g]quinoline-2,5,10-trione (CID 10130968) is 3-methyl-1H-benzo[g]quinoline-2,5,10-trione.
What is the SMILES notation for 3-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The canonical SMILES for 3-methyl-1H-benzo[g]quinoline-2,5,10-trione is Cc1cc2c([nH]c1=O)C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The InChIKey is KRLJQWUULZPLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c1-7-6-10-11(15-14(7)18)13(17)9-5-3-2-4-8(9)12(10)16/h2-6H,1H3,(H,15,18).
What are the key properties of 3-methyl-1H-benzo[g]quinoline-2,5,10-trione?
3-methyl-1H-benzo[g]quinoline-2,5,10-trione has a molecular weight of 239.23 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-benzo[g]quinoline-2,5,10-trione is sourced from PubChem (CID 10130968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).