8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione

C12H10N4O3 — CID 23262516

IUPAC8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione
SMILESCOc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C
InChIInChI=1S/C12H10N4O3/c1-5-3-6-7(4-8(5)19-2)14-10-9(13-6)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKeyLGMMSHCXNIKDQS-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.48
Rot. Bonds1

About 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione

8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione (PubChem CID 23262516) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione
PubChem CID23262516
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione
SMILESCOc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C
InChIInChI=1S/C12H10N4O3/c1-5-3-6-7(4-8(5)19-2)14-10-9(13-6)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKeyLGMMSHCXNIKDQS-UHFFFAOYSA-N
XLogP0.48
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione (CID 23262516) is 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione is COc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C.
What is the InChIKey of 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The InChIKey is LGMMSHCXNIKDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-5-3-6-7(4-8(5)19-2)14-10-9(13-6)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione?
8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione has a molecular weight of 258.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-methyl-1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 23262516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).