8-benzyl-6-(3-fluorophenyl)pteridin-7-one

C19H13FN4O — CID 3233420

IUPAC8-benzyl-6-(3-fluorophenyl)pteridin-7-one
SMILESO=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccccc1
InChIInChI=1S/C19H13FN4O/c20-15-8-4-7-14(9-15)17-19(25)24(11-13-5-2-1-3-6-13)18-16(23-17)10-21-12-22-18/h1-10,12H,11H2
InChIKeyDZDVOJSLAJRDJD-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.04
Rot. Bonds3

About 8-benzyl-6-(3-fluorophenyl)pteridin-7-one

8-benzyl-6-(3-fluorophenyl)pteridin-7-one (PubChem CID 3233420) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 8-benzyl-6-(3-fluorophenyl)pteridin-7-one.

Molecular Properties

Compound Name8-benzyl-6-(3-fluorophenyl)pteridin-7-one
PubChem CID3233420
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name8-benzyl-6-(3-fluorophenyl)pteridin-7-one
SMILESO=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccccc1
InChIInChI=1S/C19H13FN4O/c20-15-8-4-7-14(9-15)17-19(25)24(11-13-5-2-1-3-6-13)18-16(23-17)10-21-12-22-18/h1-10,12H,11H2
InChIKeyDZDVOJSLAJRDJD-UHFFFAOYSA-N
XLogP3.04
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(3-fluorophenyl)pteridin-7-one?
The IUPAC name of 8-benzyl-6-(3-fluorophenyl)pteridin-7-one (CID 3233420) is 8-benzyl-6-(3-fluorophenyl)pteridin-7-one.
What is the SMILES notation for 8-benzyl-6-(3-fluorophenyl)pteridin-7-one?
The canonical SMILES for 8-benzyl-6-(3-fluorophenyl)pteridin-7-one is O=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccccc1.
What is the InChIKey of 8-benzyl-6-(3-fluorophenyl)pteridin-7-one?
The InChIKey is DZDVOJSLAJRDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-15-8-4-7-14(9-15)17-19(25)24(11-13-5-2-1-3-6-13)18-16(23-17)10-21-12-22-18/h1-10,12H,11H2.
What are the key properties of 8-benzyl-6-(3-fluorophenyl)pteridin-7-one?
8-benzyl-6-(3-fluorophenyl)pteridin-7-one has a molecular weight of 332.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(3-fluorophenyl)pteridin-7-one is sourced from PubChem (CID 3233420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).