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

C21H15F2N3O2 — CID 134810714

IUPAC3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCOCc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C21H15F2N3O2/c1-28-11-13-3-2-4-14(9-13)17-6-7-18-20(25-17)21(27)26(12-24-18)19-8-5-15(22)10-16(19)23/h2-10,12H,11H2,1H3
InChIKeyQCTJKDJPFIHJFA-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.87
Rot. Bonds4

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

3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810714) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810714
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
SMILESCOCc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1
InChIInChI=1S/C21H15F2N3O2/c1-28-11-13-3-2-4-14(9-13)17-6-7-18-20(25-17)21(27)26(12-24-18)19-8-5-15(22)10-16(19)23/h2-10,12H,11H2,1H3
InChIKeyQCTJKDJPFIHJFA-UHFFFAOYSA-N
XLogP3.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.87
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-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one (CID 134810714) is 3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one is COCc1cccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is QCTJKDJPFIHJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c1-28-11-13-3-2-4-14(9-13)17-6-7-18-20(25-17)21(27)26(12-24-18)19-8-5-15(22)10-16(19)23/h2-10,12H,11H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-[3-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 379.37 g/mol, XLogP of 3.87, 4 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-(methoxymethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).