8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one

C14H11FN4O2 — CID 3233380

IUPAC8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one
SMILESCOc1ncc2ncc(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C14H11FN4O2/c1-21-14-17-6-11-13(18-14)19(12(20)7-16-11)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3
InChIKeyWUBJJMPNNAJIIV-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.38
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one

8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one (PubChem CID 3233380) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one
PubChem CID3233380
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one
SMILESCOc1ncc2ncc(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C14H11FN4O2/c1-21-14-17-6-11-13(18-14)19(12(20)7-16-11)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3
InChIKeyWUBJJMPNNAJIIV-UHFFFAOYSA-N
XLogP1.38
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one (CID 3233380) is 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one is COc1ncc2ncc(=O)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one?
The InChIKey is WUBJJMPNNAJIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-21-14-17-6-11-13(18-14)19(12(20)7-16-11)8-9-2-4-10(15)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one?
8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one has a molecular weight of 286.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-2-methoxypteridin-7-one is sourced from PubChem (CID 3233380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).