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

C19H11F2N3O — CID 134808323

IUPAC3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccccc3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C19H11F2N3O/c20-13-6-9-17(14(21)10-13)24-11-22-16-8-7-15(23-18(16)19(24)25)12-4-2-1-3-5-12/h1-11H
InChIKeyBBMFFGKLDCZXBU-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.73
Rot. Bonds2

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

3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808323) has the molecular formula C19H11F2N3O and a molecular weight of 335.31 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
PubChem CID134808323
Molecular FormulaC19H11F2N3O
Molecular Weight335.31 g/mol
Exact Mass335.09
IUPAC Name3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(-c3ccccc3)ccc2ncn1-c1ccc(F)cc1F
InChIInChI=1S/C19H11F2N3O/c20-13-6-9-17(14(21)10-13)24-11-22-16-8-7-15(23-18(16)19(24)25)12-4-2-1-3-5-12/h1-11H
InChIKeyBBMFFGKLDCZXBU-UHFFFAOYSA-N
XLogP3.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one (CID 134808323) is 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(-c3ccccc3)ccc2ncn1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is BBMFFGKLDCZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O/c20-13-6-9-17(14(21)10-13)24-11-22-16-8-7-15(23-18(16)19(24)25)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 335.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).