1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione

C14H14N4O2 — CID 622995

IUPAC1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)n(C)c(=O)n(C)c3nc2cc1C
InChIInChI=1S/C14H14N4O2/c1-7-5-9-10(6-8(7)2)16-12-11(15-9)13(19)18(4)14(20)17(12)3/h5-6H,1-4H3
InChIKeyYWHPEKPXGLQMJO-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.80
Rot. Bonds

About 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione

1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione (PubChem CID 622995) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione
PubChem CID622995
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)n(C)c(=O)n(C)c3nc2cc1C
InChIInChI=1S/C14H14N4O2/c1-7-5-9-10(6-8(7)2)16-12-11(15-9)13(19)18(4)14(20)17(12)3/h5-6H,1-4H3
InChIKeyYWHPEKPXGLQMJO-UHFFFAOYSA-N
XLogP0.80
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione (CID 622995) is 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)n(C)c(=O)n(C)c3nc2cc1C.
What is the InChIKey of 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione?
The InChIKey is YWHPEKPXGLQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7-5-9-10(6-8(7)2)16-12-11(15-9)13(19)18(4)14(20)17(12)3/h5-6H,1-4H3.
What are the key properties of 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione?
1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,8-tetramethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 622995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).