3-methyl-1H-benzo[g]quinazoline-2,4-dione

C13H10N2O2 — CID 22960616

IUPAC3-methyl-1H-benzo[g]quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2cc3ccccc3cc2c1=O
InChIInChI=1S/C13H10N2O2/c1-15-12(16)10-6-8-4-2-3-5-9(8)7-11(10)14-13(15)17/h2-7H,1H3,(H,14,17)
InChIKeyRFSRFBQPGYJSLK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.38
Rot. Bonds

About 3-methyl-1H-benzo[g]quinazoline-2,4-dione

3-methyl-1H-benzo[g]quinazoline-2,4-dione (PubChem CID 22960616) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-methyl-1H-benzo[g]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-methyl-1H-benzo[g]quinazoline-2,4-dione
PubChem CID22960616
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-methyl-1H-benzo[g]quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2cc3ccccc3cc2c1=O
InChIInChI=1S/C13H10N2O2/c1-15-12(16)10-6-8-4-2-3-5-9(8)7-11(10)14-13(15)17/h2-7H,1H3,(H,14,17)
InChIKeyRFSRFBQPGYJSLK-UHFFFAOYSA-N
XLogP1.38
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-methyl-1H-quinazoline-2,4-dione
CID 3881862
3-methyl-7-(2-phenylethenyl)-1H-quinazoline-2,4-dione
CID 68619236
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
3-methyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid
CID 22642147
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one
CID 69251341
3-methyl-7-(octadecylamino)-1H-quinazoline-2,4-dione
CID 14393061
7-(2-methylphenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 175627260
3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione
CID 170773945
7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 175627336

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-benzo[g]quinazoline-2,4-dione?
The IUPAC name of 3-methyl-1H-benzo[g]quinazoline-2,4-dione (CID 22960616) is 3-methyl-1H-benzo[g]quinazoline-2,4-dione.
What is the SMILES notation for 3-methyl-1H-benzo[g]quinazoline-2,4-dione?
The canonical SMILES for 3-methyl-1H-benzo[g]quinazoline-2,4-dione is Cn1c(=O)[nH]c2cc3ccccc3cc2c1=O.
What is the InChIKey of 3-methyl-1H-benzo[g]quinazoline-2,4-dione?
The InChIKey is RFSRFBQPGYJSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-15-12(16)10-6-8-4-2-3-5-9(8)7-11(10)14-13(15)17/h2-7H,1H3,(H,14,17).
What are the key properties of 3-methyl-1H-benzo[g]quinazoline-2,4-dione?
3-methyl-1H-benzo[g]quinazoline-2,4-dione has a molecular weight of 226.24 g/mol, XLogP of 1.38, 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]quinazoline-2,4-dione is sourced from PubChem (CID 22960616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).