3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione

C16H11N5O2 — CID 15192344

IUPAC3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione
SMILESCn1c(=O)nc2n(-c3ccncc3)c3ccccc3nc-2c1=O
InChIInChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-6-8-17-9-7-10)12-5-3-2-4-11(12)18-13/h2-9H,1H3
InChIKeyOZFVBMIPWZBTLG-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.98
Rot. Bonds1

About 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione

3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione (PubChem CID 15192344) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione
PubChem CID15192344
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC Name3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione
SMILESCn1c(=O)nc2n(-c3ccncc3)c3ccccc3nc-2c1=O
InChIInChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-6-8-17-9-7-10)12-5-3-2-4-11(12)18-13/h2-9H,1H3
InChIKeyOZFVBMIPWZBTLG-UHFFFAOYSA-N
XLogP0.98
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione (CID 15192344) is 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione is Cn1c(=O)nc2n(-c3ccncc3)c3ccccc3nc-2c1=O.
What is the InChIKey of 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione?
The InChIKey is OZFVBMIPWZBTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-6-8-17-9-7-10)12-5-3-2-4-11(12)18-13/h2-9H,1H3.
What are the key properties of 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione?
3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione has a molecular weight of 305.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-pyridin-4-ylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 15192344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).