2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one

C14H10FN3O2 — CID 136959944

IUPAC2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cncc2nc(-c3ccccc3F)[nH]c(=O)c12
InChIInChI=1S/C14H10FN3O2/c1-20-11-7-16-6-10-12(11)14(19)18-13(17-10)8-4-2-3-5-9(8)15/h2-7H,1H3,(H,17,18,19)
InChIKeyVKONCPKDIOWOIY-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.13
Rot. Bonds2

About 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one

2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136959944) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136959944
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cncc2nc(-c3ccccc3F)[nH]c(=O)c12
InChIInChI=1S/C14H10FN3O2/c1-20-11-7-16-6-10-12(11)14(19)18-13(17-10)8-4-2-3-5-9(8)15/h2-7H,1H3,(H,17,18,19)
InChIKeyVKONCPKDIOWOIY-UHFFFAOYSA-N
XLogP2.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136959944) is 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one is COc1cncc2nc(-c3ccccc3F)[nH]c(=O)c12.
What is the InChIKey of 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VKONCPKDIOWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-20-11-7-16-6-10-12(11)14(19)18-13(17-10)8-4-2-3-5-9(8)15/h2-7H,1H3,(H,17,18,19).
What are the key properties of 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 271.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136959944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).