10-ethyl-6-methylbenzo[g]pteridine-2,4-dione

C13H12N4O2 — CID 122217008

IUPAC10-ethyl-6-methylbenzo[g]pteridine-2,4-dione
SMILESCCn1c2nc(=O)[nH]c(=O)c-2nc2c(C)cccc21
InChIInChI=1S/C13H12N4O2/c1-3-17-8-6-4-5-7(2)9(8)14-10-11(17)15-13(19)16-12(10)18/h4-6H,3H2,1-2H3,(H,16,18,19)
InChIKeyQOATWVVSUOUZTI-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.91
Rot. Bonds1

About 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione

10-ethyl-6-methylbenzo[g]pteridine-2,4-dione (PubChem CID 122217008) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-ethyl-6-methylbenzo[g]pteridine-2,4-dione
PubChem CID122217008
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name10-ethyl-6-methylbenzo[g]pteridine-2,4-dione
SMILESCCn1c2nc(=O)[nH]c(=O)c-2nc2c(C)cccc21
InChIInChI=1S/C13H12N4O2/c1-3-17-8-6-4-5-7(2)9(8)14-10-11(17)15-13(19)16-12(10)18/h4-6H,3H2,1-2H3,(H,16,18,19)
InChIKeyQOATWVVSUOUZTI-UHFFFAOYSA-N
XLogP0.91
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-ethyl-4-methylbenzimidazol-2-yl)prop-2-enoic acid
CID 84626052
10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
CID 91937758
7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane
CID 143941805
7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 88899590
7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione
CID 88899615
7,8-dimethyl-10-(3-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 87408696
10-[3-(3-methoxyphenyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 53491754
10-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione;methanediol
CID 161044136
7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492640
10-heptyl-7-methyl-8-propan-2-ylbenzo[g]pteridine-2,4-dione
CID 91207684
7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione
CID 71538059
10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 88988464

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione (CID 122217008) is 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione is CCn1c2nc(=O)[nH]c(=O)c-2nc2c(C)cccc21.
What is the InChIKey of 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione?
The InChIKey is QOATWVVSUOUZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-3-17-8-6-4-5-7(2)9(8)14-10-11(17)15-13(19)16-12(10)18/h4-6H,3H2,1-2H3,(H,16,18,19).
What are the key properties of 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione?
10-ethyl-6-methylbenzo[g]pteridine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-6-methylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 122217008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).