ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate

C22H16N2O5 — CID 49151850

IUPACethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(Cn2cnc3c(oc4ccccc43)c2=O)oc2ccccc12
InChIInChI=1S/C22H16N2O5/c1-2-27-22(26)18-13-7-3-5-9-15(13)28-17(18)11-24-12-23-19-14-8-4-6-10-16(14)29-20(19)21(24)25/h3-10,12H,2,11H2,1H3
InChIKeyLDEZKRMBPGZCGR-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.11
Rot. Bonds4

About ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate

ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate (PubChem CID 49151850) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate
PubChem CID49151850
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Nameethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(Cn2cnc3c(oc4ccccc43)c2=O)oc2ccccc12
InChIInChI=1S/C22H16N2O5/c1-2-27-22(26)18-13-7-3-5-9-15(13)28-17(18)11-24-12-23-19-14-8-4-6-10-16(14)29-20(19)21(24)25/h3-10,12H,2,11H2,1H3
InChIKeyLDEZKRMBPGZCGR-UHFFFAOYSA-N
XLogP4.11
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate with MolForge

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Related Compounds

ethyl 3-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-2-carboxylate
CID 31806044
methyl 5-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate
CID 71920876
ethyl 4-(furan-2-yl)-2-oxo-6-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46608802
(4-propoxyphenyl) 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 55382859
ethyl 4-methyl-2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]-pentylamino]-1,3-thiazole-5-carboxylate
CID 55478179
ethyl 2-but-3-enyl-1-benzofuran-3-carboxylate
CID 16742342
N-(2-amino-2-ethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119642367
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906
ethyl 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49230182
3-[2-hydroxy-2-(4-methylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 111476407
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 46821949
N-[2-(ethylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119507744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate (CID 49151850) is ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate is CCOC(=O)c1c(Cn2cnc3c(oc4ccccc43)c2=O)oc2ccccc12.
What is the InChIKey of ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate?
The InChIKey is LDEZKRMBPGZCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-2-27-22(26)18-13-7-3-5-9-15(13)28-17(18)11-24-12-23-19-14-8-4-6-10-16(14)29-20(19)21(24)25/h3-10,12H,2,11H2,1H3.
What are the key properties of ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate?
ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate has a molecular weight of 388.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 49151850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).