6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one

C19H13FN4O2 — CID 3232980

IUPAC6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one
SMILESCOc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C19H13FN4O2/c1-26-19-21-11-15-17(23-19)24(14-5-3-2-4-6-14)18(25)16(22-15)12-7-9-13(20)10-8-12/h2-11H,1H3
InChIKeyRSBWHENPHTUAPP-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.99
Rot. Bonds3

About 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one

6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one (PubChem CID 3232980) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one
PubChem CID3232980
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one
SMILESCOc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C19H13FN4O2/c1-26-19-21-11-15-17(23-19)24(14-5-3-2-4-6-14)18(25)16(22-15)12-7-9-13(20)10-8-12/h2-11H,1H3
InChIKeyRSBWHENPHTUAPP-UHFFFAOYSA-N
XLogP2.99
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one (CID 3232980) is 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one is COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one?
The InChIKey is RSBWHENPHTUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c1-26-19-21-11-15-17(23-19)24(14-5-3-2-4-6-14)18(25)16(22-15)12-7-9-13(20)10-8-12/h2-11H,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one?
6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one has a molecular weight of 348.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methoxy-8-phenylpteridin-7-one is sourced from PubChem (CID 3232980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).