6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one

C21H17FN4O2 — CID 3232713

IUPAC6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one
SMILESCOc1ccccc1CCn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21
InChIInChI=1S/C21H17FN4O2/c1-28-18-5-3-2-4-14(18)10-11-26-20-17(12-23-13-24-20)25-19(21(26)27)15-6-8-16(22)9-7-15/h2-9,12-13H,10-11H2,1H3
InChIKeyQTTZWGUPWUTEGQ-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.24
Rot. Bonds5

About 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one

6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one (PubChem CID 3232713) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one
PubChem CID3232713
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one
SMILESCOc1ccccc1CCn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21
InChIInChI=1S/C21H17FN4O2/c1-28-18-5-3-2-4-14(18)10-11-26-20-17(12-23-13-24-20)25-19(21(26)27)15-6-8-16(22)9-7-15/h2-9,12-13H,10-11H2,1H3
InChIKeyQTTZWGUPWUTEGQ-UHFFFAOYSA-N
XLogP3.24
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one (CID 3232713) is 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one is COc1ccccc1CCn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21.
What is the InChIKey of 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one?
The InChIKey is QTTZWGUPWUTEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-28-18-5-3-2-4-14(18)10-11-26-20-17(12-23-13-24-20)25-19(21(26)27)15-6-8-16(22)9-7-15/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one?
6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one has a molecular weight of 376.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one is sourced from PubChem (CID 3232713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).