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

C14H9NO3 — CID 10105653

IUPAC4-methyl-1H-benzo[g]quinoline-2,5,10-trione
SMILESCc1cc(=O)[nH]c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16)
InChIKeyGYAHTYNHCVTZOK-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.46
Rot. Bonds

About 4-methyl-1H-benzo[g]quinoline-2,5,10-trione

4-methyl-1H-benzo[g]quinoline-2,5,10-trione (PubChem CID 10105653) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-methyl-1H-benzo[g]quinoline-2,5,10-trione.

Molecular Properties

Compound Name4-methyl-1H-benzo[g]quinoline-2,5,10-trione
PubChem CID10105653
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name4-methyl-1H-benzo[g]quinoline-2,5,10-trione
SMILESCc1cc(=O)[nH]c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16)
InChIKeyGYAHTYNHCVTZOK-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

3-Aminonaphthoquinone
CID 72909
2-Acetylamino-3-chloro-1,4-naphthoquinone
CID 72754
2-Dimethylamino-1,4-naphthoquinone
CID 16870
2-Methylamino-1,4-naphthoquinone
CID 464135
4-hydroxy-3,3-dimethyl-2H-benzo[g]indole-2,5(3H)-dione
CID 6604934
2-Chloro-3-(propan-2-ylamino)naphthalene-1,4-dione
CID 260182
Dielsiquinone
CID 10445779
1,4-Naphthoquinone, 2-(cyclohexylmethylamino)-
CID 32141
1,4-Naphthoquinone, 2-(isopropylamino)-
CID 42612
Ppm-18
CID 4882
4-(Butylamino)naphthalene-1,2-dione
CID 3095210
2-[(2-Phenylethyl)amino]naphthoquinone
CID 304447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The IUPAC name of 4-methyl-1H-benzo[g]quinoline-2,5,10-trione (CID 10105653) is 4-methyl-1H-benzo[g]quinoline-2,5,10-trione.
What is the SMILES notation for 4-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The canonical SMILES for 4-methyl-1H-benzo[g]quinoline-2,5,10-trione is Cc1cc(=O)[nH]c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 4-methyl-1H-benzo[g]quinoline-2,5,10-trione?
The InChIKey is GYAHTYNHCVTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16).
What are the key properties of 4-methyl-1H-benzo[g]quinoline-2,5,10-trione?
4-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 4-methyl-1H-benzo[g]quinoline-2,5,10-trione is sourced from PubChem (CID 10105653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).