(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate

C19H17FN2O4 — CID 46611154

IUPAC(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc1F
InChIInChI=1S/C19H17FN2O4/c1-12-5-6-22-17(7-12)21-14(10-18(22)23)11-26-19(24)9-13-3-4-16(25-2)15(20)8-13/h3-8,10H,9,11H2,1-2H3
InChIKeyMRBPZFWENQZLQH-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.44
Rot. Bonds5

About (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 46611154) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID46611154
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc1F
InChIInChI=1S/C19H17FN2O4/c1-12-5-6-22-17(7-12)21-14(10-18(22)23)11-26-19(24)9-13-3-4-16(25-2)15(20)8-13/h3-8,10H,9,11H2,1-2H3
InChIKeyMRBPZFWENQZLQH-UHFFFAOYSA-N
XLogP2.44
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate (CID 46611154) is (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc1F.
What is the InChIKey of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is MRBPZFWENQZLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-12-5-6-22-17(7-12)21-14(10-18(22)23)11-26-19(24)9-13-3-4-16(25-2)15(20)8-13/h3-8,10H,9,11H2,1-2H3.
What are the key properties of (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate?
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 356.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 46611154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).