3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

C20H13F2N3O2 — CID 134806260

IUPAC3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C20H13F2N3O2/c1-27-14-4-2-3-12(9-14)16-6-7-17-19(24-16)20(26)25(11-23-17)18-8-5-13(21)10-15(18)22/h2-11H,1H3
InChIKeyGPFHSTCIUDBPPS-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.73
Rot. Bonds3

About 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134806260) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134806260
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C20H13F2N3O2/c1-27-14-4-2-3-12(9-14)16-6-7-17-19(24-16)20(26)25(11-23-17)18-8-5-13(21)10-15(18)22/h2-11H,1H3
InChIKeyGPFHSTCIUDBPPS-UHFFFAOYSA-N
XLogP3.73
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134806260) is 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is GPFHSTCIUDBPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c1-27-14-4-2-3-12(9-14)16-6-7-17-19(24-16)20(26)25(11-23-17)18-8-5-13(21)10-15(18)22/h2-11H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 365.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-(3-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134806260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).