(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

C20H15FN2O4 — CID 8608567

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1ccc2nc(COC(=O)c3oc4c(F)cccc4c3C)cc(=O)n2c1
InChIInChI=1S/C20H15FN2O4/c1-11-6-7-16-22-13(8-17(24)23(16)9-11)10-26-20(25)18-12(2)14-4-3-5-15(21)19(14)27-18/h3-9H,10H2,1-2H3
InChIKeyGGROHMOIDTZHOY-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.55
Rot. Bonds3

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8608567) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID8608567
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1ccc2nc(COC(=O)c3oc4c(F)cccc4c3C)cc(=O)n2c1
InChIInChI=1S/C20H15FN2O4/c1-11-6-7-16-22-13(8-17(24)23(16)9-11)10-26-20(25)18-12(2)14-4-3-5-15(21)19(14)27-18/h3-9H,10H2,1-2H3
InChIKeyGGROHMOIDTZHOY-UHFFFAOYSA-N
XLogP3.55
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 8608567) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is Cc1ccc2nc(COC(=O)c3oc4c(F)cccc4c3C)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is GGROHMOIDTZHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-11-6-7-16-22-13(8-17(24)23(16)9-11)10-26-20(25)18-12(2)14-4-3-5-15(21)19(14)27-18/h3-9H,10H2,1-2H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 366.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8608567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).