8-benzyl-6-phenylpteridin-7-one

C19H14N4O — CID 3232694

IUPAC8-benzyl-6-phenylpteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccccc1
InChIInChI=1S/C19H14N4O/c24-19-17(15-9-5-2-6-10-15)22-16-11-20-13-21-18(16)23(19)12-14-7-3-1-4-8-14/h1-11,13H,12H2
InChIKeyZLHWLTKBCFCCPS-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.90
Rot. Bonds3

About 8-benzyl-6-phenylpteridin-7-one

8-benzyl-6-phenylpteridin-7-one (PubChem CID 3232694) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 8-benzyl-6-phenylpteridin-7-one.

Molecular Properties

Compound Name8-benzyl-6-phenylpteridin-7-one
PubChem CID3232694
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name8-benzyl-6-phenylpteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccccc1
InChIInChI=1S/C19H14N4O/c24-19-17(15-9-5-2-6-10-15)22-16-11-20-13-21-18(16)23(19)12-14-7-3-1-4-8-14/h1-11,13H,12H2
InChIKeyZLHWLTKBCFCCPS-UHFFFAOYSA-N
XLogP2.90
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-phenylpteridin-7-one?
The IUPAC name of 8-benzyl-6-phenylpteridin-7-one (CID 3232694) is 8-benzyl-6-phenylpteridin-7-one.
What is the SMILES notation for 8-benzyl-6-phenylpteridin-7-one?
The canonical SMILES for 8-benzyl-6-phenylpteridin-7-one is O=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccccc1.
What is the InChIKey of 8-benzyl-6-phenylpteridin-7-one?
The InChIKey is ZLHWLTKBCFCCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19-17(15-9-5-2-6-10-15)22-16-11-20-13-21-18(16)23(19)12-14-7-3-1-4-8-14/h1-11,13H,12H2.
What are the key properties of 8-benzyl-6-phenylpteridin-7-one?
8-benzyl-6-phenylpteridin-7-one has a molecular weight of 314.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-phenylpteridin-7-one is sourced from PubChem (CID 3232694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).