8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten

C13H11N4O2W- — CID 59963690

IUPAC8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten
SMILES[CH2-]c1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2C.[W]
InChIInChI=1S/C13H11N4O2.W/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11;/h4-5H,2H2,1,3H3,(H,16,18,19);/q-1;
InChIKeyJCJACGMQHDXRSC-UHFFFAOYSA-N
MW439.10 g/mol
LogP0.61
Rot. Bonds

About 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten

8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten (PubChem CID 59963690) has the molecular formula C13H11N4O2W- and a molecular weight of 439.10 g/mol. Its IUPAC name is 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten.

Molecular Properties

Compound Name8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten
PubChem CID59963690
Molecular FormulaC13H11N4O2W-
Molecular Weight439.10 g/mol
Exact Mass439.04
IUPAC Name8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten
SMILES[CH2-]c1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2C.[W]
InChIInChI=1S/C13H11N4O2.W/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11;/h4-5H,2H2,1,3H3,(H,16,18,19);/q-1;
InChIKeyJCJACGMQHDXRSC-UHFFFAOYSA-N
XLogP0.61
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.10
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 102212998
7,10-dimethyl-2,4-dioxobenzo[g]pteridine-8-carbonyl chloride
CID 20674189
8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 10490335
7,8,10-trimethyl-4-sulfanylidenebenzo[g]pteridin-2-one
CID 102221390
7,8,10-trimethylpyrido[3,2-g]pteridine-2,4-dione
CID 102221386
7-(1-chloropentan-3-yl)-8,10-dimethylbenzo[g]pteridine-2,4-dione
CID 23529088
8-(2-bromoacetyl)-10-methylbenzo[g]pteridine-2,4-dione
CID 14586353
8-amino-7,10-dimethylbenzo[g]pteridine-2,4-dione;8-[bis(2-chloroethyl)amino]-7,10-dimethylbenzo[g]pteridine-2,4-dione;oxirane
CID 157246364
10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 89311042
10-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione;methanediol
CID 161044136
10-[3-(3-fluoro-5-methylphenyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 88899989
7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492640

Frequently Asked Questions

What is the IUPAC name of 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten?
The IUPAC name of 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten (CID 59963690) is 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten.
What is the SMILES notation for 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten?
The canonical SMILES for 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten is [CH2-]c1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2C.[W].
What is the InChIKey of 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten?
The InChIKey is JCJACGMQHDXRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N4O2.W/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11;/h4-5H,2H2,1,3H3,(H,16,18,19);/q-1;.
What are the key properties of 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten?
8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten has a molecular weight of 439.10 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methanidyl-7,10-dimethylbenzo[g]pteridine-2,4-dione;tungsten is sourced from PubChem (CID 59963690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).