ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C26H21N3O5 — CID 2380946

IUPACethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cc3ccccc3o2)nc2c1c(=O)n(C)c(=O)n2Cc1ccccc1
InChIInChI=1S/C26H21N3O5/c1-3-33-25(31)18-14-19(21-13-17-11-7-8-12-20(17)34-21)27-23-22(18)24(30)28(2)26(32)29(23)15-16-9-5-4-6-10-16/h4-14H,3,15H2,1-2H3
InChIKeyAWXFDJYAXRKQRI-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.73
Rot. Bonds5

About ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 2380946) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID2380946
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Nameethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cc3ccccc3o2)nc2c1c(=O)n(C)c(=O)n2Cc1ccccc1
InChIInChI=1S/C26H21N3O5/c1-3-33-25(31)18-14-19(21-13-17-11-7-8-12-20(17)34-21)27-23-22(18)24(30)28(2)26(32)29(23)15-16-9-5-4-6-10-16/h4-14H,3,15H2,1-2H3
InChIKeyAWXFDJYAXRKQRI-UHFFFAOYSA-N
XLogP3.73
TPSA96.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-[(3-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238717
ethyl 7-cyclopropyl-3-[(4-fluorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238718
3-benzyl-N,N-diethyl-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53097001
ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 9467715
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
methyl 7-(furan-2-yl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 4804029
ethyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812780
ethyl 2-methyl-6-(2-oxochromen-3-yl)pyridine-3-carboxylate
CID 23248660
ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 118423479
ethyl 3-(2-anilino-2-oxoethyl)-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 42582849
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 2380946) is ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2cc3ccccc3o2)nc2c1c(=O)n(C)c(=O)n2Cc1ccccc1.
What is the InChIKey of ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is AWXFDJYAXRKQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-3-33-25(31)18-14-19(21-13-17-11-7-8-12-20(17)34-21)27-23-22(18)24(30)28(2)26(32)29(23)15-16-9-5-4-6-10-16/h4-14H,3,15H2,1-2H3.
What are the key properties of ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 455.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 2380946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).