ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate

C20H17N3O7 — CID 9381188

IUPACethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc4c(c3)NC(=O)CO4)c(=O)c12
InChIInChI=1S/C20H17N3O7/c1-3-28-20(27)16-10(2)30-18-17(16)19(26)23(9-21-18)7-13(24)11-4-5-14-12(6-11)22-15(25)8-29-14/h4-6,9H,3,7-8H2,1-2H3,(H,22,25)
InChIKeyYSMVDBTYGXNQSY-UHFFFAOYSA-N
MW411.37 g/mol
LogP1.69
Rot. Bonds5

About ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 9381188) has the molecular formula C20H17N3O7 and a molecular weight of 411.37 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID9381188
Molecular FormulaC20H17N3O7
Molecular Weight411.37 g/mol
Exact Mass411.11
IUPAC Nameethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc4c(c3)NC(=O)CO4)c(=O)c12
InChIInChI=1S/C20H17N3O7/c1-3-28-20(27)16-10(2)30-18-17(16)19(26)23(9-21-18)7-13(24)11-4-5-14-12(6-11)22-15(25)8-29-14/h4-6,9H,3,7-8H2,1-2H3,(H,22,25)
InChIKeyYSMVDBTYGXNQSY-UHFFFAOYSA-N
XLogP1.69
TPSA129.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651847
ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652933
ethyl 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651740
ethyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651747
ethyl 6-methyl-4-oxo-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 8652212
ethyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651858
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-(diethylamino)benzoate
CID 2111665
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782564
ethyl 3-(2-cyanoethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 35341972
ethyl 3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652537
ethyl 3-[2-(4-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651463
ethyl 3-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653323

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 9381188) is ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc4c(c3)NC(=O)CO4)c(=O)c12.
What is the InChIKey of ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is YSMVDBTYGXNQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O7/c1-3-28-20(27)16-10(2)30-18-17(16)19(26)23(9-21-18)7-13(24)11-4-5-14-12(6-11)22-15(25)8-29-14/h4-6,9H,3,7-8H2,1-2H3,(H,22,25).
What are the key properties of ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 411.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 9381188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).