6-(3-fluorophenyl)-8-phenylpteridin-7-one

C18H11FN4O — CID 3235393

IUPAC6-(3-fluorophenyl)-8-phenylpteridin-7-one
SMILESO=c1c(-c2cccc(F)c2)nc2cncnc2n1-c1ccccc1
InChIInChI=1S/C18H11FN4O/c19-13-6-4-5-12(9-13)16-18(24)23(14-7-2-1-3-8-14)17-15(22-16)10-20-11-21-17/h1-11H
InChIKeyHOWGPJLNOBCRFR-UHFFFAOYSA-N
MW318.31 g/mol
LogP2.98
Rot. Bonds2

About 6-(3-fluorophenyl)-8-phenylpteridin-7-one

6-(3-fluorophenyl)-8-phenylpteridin-7-one (PubChem CID 3235393) has the molecular formula C18H11FN4O and a molecular weight of 318.31 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-8-phenylpteridin-7-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)-8-phenylpteridin-7-one
PubChem CID3235393
Molecular FormulaC18H11FN4O
Molecular Weight318.31 g/mol
Exact Mass318.09
IUPAC Name6-(3-fluorophenyl)-8-phenylpteridin-7-one
SMILESO=c1c(-c2cccc(F)c2)nc2cncnc2n1-c1ccccc1
InChIInChI=1S/C18H11FN4O/c19-13-6-4-5-12(9-13)16-18(24)23(14-7-2-1-3-8-14)17-15(22-16)10-20-11-21-17/h1-11H
InChIKeyHOWGPJLNOBCRFR-UHFFFAOYSA-N
XLogP2.98
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-8-phenylpteridin-7-one?
The IUPAC name of 6-(3-fluorophenyl)-8-phenylpteridin-7-one (CID 3235393) is 6-(3-fluorophenyl)-8-phenylpteridin-7-one.
What is the SMILES notation for 6-(3-fluorophenyl)-8-phenylpteridin-7-one?
The canonical SMILES for 6-(3-fluorophenyl)-8-phenylpteridin-7-one is O=c1c(-c2cccc(F)c2)nc2cncnc2n1-c1ccccc1.
What is the InChIKey of 6-(3-fluorophenyl)-8-phenylpteridin-7-one?
The InChIKey is HOWGPJLNOBCRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O/c19-13-6-4-5-12(9-13)16-18(24)23(14-7-2-1-3-8-14)17-15(22-16)10-20-11-21-17/h1-11H.
What are the key properties of 6-(3-fluorophenyl)-8-phenylpteridin-7-one?
6-(3-fluorophenyl)-8-phenylpteridin-7-one has a molecular weight of 318.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-8-phenylpteridin-7-one is sourced from PubChem (CID 3235393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).