7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione

C13H14N4O2 — CID 23586149

IUPAC7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1C)N(C)C1NC(=O)NC(=O)C1=N2
InChIInChI=1S/C13H14N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5,11H,1-3H3,(H2,15,16,18,19)
InChIKeyWWJLVORKSFZDDU-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.99
Rot. Bonds

About 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione

7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione (PubChem CID 23586149) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione
PubChem CID23586149
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1C)N(C)C1NC(=O)NC(=O)C1=N2
InChIInChI=1S/C13H14N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5,11H,1-3H3,(H2,15,16,18,19)
InChIKeyWWJLVORKSFZDDU-UHFFFAOYSA-N
XLogP0.99
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione?
The IUPAC name of 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione (CID 23586149) is 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione?
The canonical SMILES for 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione is Cc1cc2c(cc1C)N(C)C1NC(=O)NC(=O)C1=N2.
What is the InChIKey of 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione?
The InChIKey is WWJLVORKSFZDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5,11H,1-3H3,(H2,15,16,18,19).
What are the key properties of 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione?
7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10-trimethyl-1,10a-dihydrobenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 23586149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).