2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one

C16H13FN2O3 — CID 89741233

IUPAC2-(3,4-dimethoxyphenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCOC1=C(C=C(C=C1)C2=CC(=O)N3C=C(C=CC3=N2)F)OC
InChIInChI=1S/C16H13FN2O3/c1-21-13-5-3-10(7-14(13)22-2)12-8-16(20)19-9-11(17)4-6-15(19)18-12/h3-9H,1-2H3
InChIKeyGUWBFRVXTCVUQC-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.50
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 89741233) has the molecular formula C16H13FN2O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID89741233
Molecular FormulaC16H13FN2O3
Molecular Weight300.28 g/mol
Exact Mass300.09
IUPAC Name2-(3,4-dimethoxyphenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCOC1=C(C=C(C=C1)C2=CC(=O)N3C=C(C=CC3=N2)F)OC
InChIInChI=1S/C16H13FN2O3/c1-21-13-5-3-10(7-14(13)22-2)12-8-16(20)19-9-11(17)4-6-15(19)18-12/h3-9H,1-2H3
InChIKeyGUWBFRVXTCVUQC-UHFFFAOYSA-N
XLogP1.50
TPSA51.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity594

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one (CID 89741233) is 2-(3,4-dimethoxyphenyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one is COC1=C(C=C(C=C1)C2=CC(=O)N3C=C(C=CC3=N2)F)OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GUWBFRVXTCVUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-21-13-5-3-10(7-14(13)22-2)12-8-16(20)19-9-11(17)4-6-15(19)18-12/h3-9H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one?
2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 89741233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).