8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one

C19H13FN4O — CID 3233076

IUPAC8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H13FN4O/c20-15-8-6-13(7-9-15)11-24-18-16(10-21-12-22-18)23-17(19(24)25)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyCUQQCHJRTDOXFH-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.04
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one

8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one (PubChem CID 3233076) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
PubChem CID3233076
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H13FN4O/c20-15-8-6-13(7-9-15)11-24-18-16(10-21-12-22-18)23-17(19(24)25)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyCUQQCHJRTDOXFH-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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Related Compounds

6-(3-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one
CID 3235190
2-(4-chlorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;4-(2-hydroxyethyl)-2-phenylpyrido[2,3-b]pyrazin-3-one
CID 158140434
9-[(4-fluorophenyl)methyl]-N-[(3S,4R)-3-methylpiperidin-4-yl]purin-8-amine
CID 57233730
3-[2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67878780
2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
CID 3233664
2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 157216707
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
CID 134154466
9-benzyl-8-(2-ethoxyethenyl)purine
CID 86606865
1-(8-phenylpurin-9-yl)propan-2-amine
CID 82665271
6-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233264
2-amino-N-[2-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]ethyl]benzamide
CID 19785273

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one (CID 3233076) is 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one is O=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
The InChIKey is CUQQCHJRTDOXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-15-8-6-13(7-9-15)11-24-18-16(10-21-12-22-18)23-17(19(24)25)14-4-2-1-3-5-14/h1-10,12H,11H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one?
8-[(4-fluorophenyl)methyl]-6-phenylpteridin-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-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one is sourced from PubChem (CID 3233076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).