3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde

C14H12N4O3 — CID 165342378

IUPAC3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde
SMILESCc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1C=O
InChIInChI=1S/C14H12N4O3/c1-7-4-9-10(5-8(7)6-19)17(2)12-11(15-9)13(20)18(3)14(21)16-12/h4-6H,1-3H3
InChIKeyCXKCMGQWHDUBMS-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.25
Rot. Bonds1

About 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde

3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde (PubChem CID 165342378) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde.

Molecular Properties

Compound Name3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde
PubChem CID165342378
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde
SMILESCc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1C=O
InChIInChI=1S/C14H12N4O3/c1-7-4-9-10(5-8(7)6-19)17(2)12-11(15-9)13(20)18(3)14(21)16-12/h4-6H,1-3H3
InChIKeyCXKCMGQWHDUBMS-UHFFFAOYSA-N
XLogP0.25
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde?
The IUPAC name of 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde (CID 165342378) is 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde.
What is the SMILES notation for 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde?
The canonical SMILES for 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde is Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C)c2cc1C=O.
What is the InChIKey of 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde?
The InChIKey is CXKCMGQWHDUBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-7-4-9-10(5-8(7)6-19)17(2)12-11(15-9)13(20)18(3)14(21)16-12/h4-6H,1-3H3.
What are the key properties of 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde?
3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde has a molecular weight of 284.27 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde is sourced from PubChem (CID 165342378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).