(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

C20H15FN2O4 — CID 55367700

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2cc(=O)n3c(C)cccc3n2)oc2ccc(F)cc12
InChIInChI=1S/C20H15FN2O4/c1-11-4-3-5-17-22-14(9-18(24)23(11)17)10-26-20(25)19-12(2)15-8-13(21)6-7-16(15)27-19/h3-9H,10H2,1-2H3
InChIKeyDWPOTEJCPVNKQS-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.55
Rot. Bonds3

About (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 55367700) 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 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID55367700
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2cc(=O)n3c(C)cccc3n2)oc2ccc(F)cc12
InChIInChI=1S/C20H15FN2O4/c1-11-4-3-5-17-22-14(9-18(24)23(11)17)10-26-20(25)19-12(2)15-8-13(21)6-7-16(15)27-19/h3-9H,10H2,1-2H3
InChIKeyDWPOTEJCPVNKQS-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 (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 55367700) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCc2cc(=O)n3c(C)cccc3n2)oc2ccc(F)cc12.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is DWPOTEJCPVNKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-11-4-3-5-17-22-14(9-18(24)23(11)17)10-26-20(25)19-12(2)15-8-13(21)6-7-16(15)27-19/h3-9H,10H2,1-2H3.
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-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 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 55367700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).