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

C21H15F2N3O3 — CID 134808633

IUPAC3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)cc1OC
InChIInChI=1S/C21H15F2N3O3/c1-28-18-8-3-12(9-19(18)29-2)15-5-6-16-20(25-15)21(27)26(11-24-16)17-7-4-13(22)10-14(17)23/h3-11H,1-2H3
InChIKeyKKORTOGJNISEGS-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.74
Rot. Bonds4

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

3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808633) has the molecular formula C21H15F2N3O3 and a molecular weight of 395.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134808633
Molecular FormulaC21H15F2N3O3
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)cc1OC
InChIInChI=1S/C21H15F2N3O3/c1-28-18-8-3-12(9-19(18)29-2)15-5-6-16-20(25-15)21(27)26(11-24-16)17-7-4-13(22)10-14(17)23/h3-11H,1-2H3
InChIKeyKKORTOGJNISEGS-UHFFFAOYSA-N
XLogP3.74
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134808633) is 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1ccc(-c2ccc3ncn(-c4ccc(F)cc4F)c(=O)c3n2)cc1OC.
What is the InChIKey of 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is KKORTOGJNISEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3/c1-28-18-8-3-12(9-19(18)29-2)15-5-6-16-20(25-15)21(27)26(11-24-16)17-7-4-13(22)10-14(17)23/h3-11H,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?
3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 395.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).