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

C20H15FN2O4 — CID 46811771

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2cc(=O)n3c(C)cccc3n2)oc2c(F)cccc12
InChIInChI=1S/C20H15FN2O4/c1-11-5-3-8-16-22-13(9-17(24)23(11)16)10-26-20(25)18-12(2)14-6-4-7-15(21)19(14)27-18/h3-9H,10H2,1-2H3
InChIKeyJFTMUFOHFAHZGM-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.55
Rot. Bonds3

About (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 46811771) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID46811771
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2cc(=O)n3c(C)cccc3n2)oc2c(F)cccc12
InChIInChI=1S/C20H15FN2O4/c1-11-5-3-8-16-22-13(9-17(24)23(11)16)10-26-20(25)18-12(2)14-6-4-7-15(21)19(14)27-18/h3-9H,10H2,1-2H3
InChIKeyJFTMUFOHFAHZGM-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

Analyze (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270300
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-1-benzofuran-2-carboxylate
CID 2127829
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8608542
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8608567
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate
CID 8675402
(7-Methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8950946
(7-Methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8951256
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate
CID 24455979
(9-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate
CID 24456000
(7-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 45351998
(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 45849476
(8-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 45849477

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 46811771) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCc2cc(=O)n3c(C)cccc3n2)oc2c(F)cccc12.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is JFTMUFOHFAHZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-11-5-3-8-16-22-13(9-17(24)23(11)16)10-26-20(25)18-12(2)14-6-4-7-15(21)19(14)27-18/h3-9H,10H2,1-2H3.
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
(6-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 (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 46811771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).