(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate

C17H15ClN2O5 — CID 55479274

IUPAC(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)oc2ccc(Cl)cc12
InChIInChI=1S/C17H15ClN2O5/c1-9-12-6-10(18)4-5-13(12)25-15(9)16(22)24-8-11-7-14(21)20(3)17(23)19(11)2/h4-7H,8H2,1-3H3
InChIKeyAHVDHZKWIMKNIZ-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.15
Rot. Bonds3

About (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 55479274) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID55479274
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)oc2ccc(Cl)cc12
InChIInChI=1S/C17H15ClN2O5/c1-9-12-6-10(18)4-5-13(12)25-15(9)16(22)24-8-11-7-14(21)20(3)17(23)19(11)2/h4-7H,8H2,1-3H3
InChIKeyAHVDHZKWIMKNIZ-UHFFFAOYSA-N
XLogP2.15
TPSA83.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

propyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 112724856
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 32875592
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 55380292
2-methylsulfanylethyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 78831811
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554956
(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186927
(2-morpholin-4-yl-2-oxoethyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554196
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554603
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-chlorophenoxy)acetate
CID 46675333
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 46675193
(2-oxo-2-thiophen-2-ylethyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554562
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8555876

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate (CID 55479274) is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)oc2ccc(Cl)cc12.
What is the InChIKey of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is AHVDHZKWIMKNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-9-12-6-10(18)4-5-13(12)25-15(9)16(22)24-8-11-7-14(21)20(3)17(23)19(11)2/h4-7H,8H2,1-3H3.
What are the key properties of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate?
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 362.77 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 55479274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).