ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate

C23H24N2O6 — CID 39764707

IUPACethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)oc(C)c1C(C)=O
InChIInChI=1S/C23H24N2O6/c1-6-30-23(29)20-19(14(4)26)15(5)31-22(20)24-17(27)11-25-18(28)10-13(3)16-9-7-8-12(2)21(16)25/h7-10H,6,11H2,1-5H3,(H,24,27)
InChIKeyBPKZZPBVAOUDIZ-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.54
Rot. Bonds6

About ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 39764707) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate
PubChem CID39764707
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Nameethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)oc(C)c1C(C)=O
InChIInChI=1S/C23H24N2O6/c1-6-30-23(29)20-19(14(4)26)15(5)31-22(20)24-17(27)11-25-18(28)10-13(3)16-9-7-8-12(2)21(16)25/h7-10H,6,11H2,1-5H3,(H,24,27)
InChIKeyBPKZZPBVAOUDIZ-UHFFFAOYSA-N
XLogP3.54
TPSA107.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate
CID 39765123
ethyl 4-acetyl-2-[[2-(7-chloro-3-oxo-1,2-benzothiazol-2-yl)acetyl]amino]-5-methylfuran-3-carboxylate
CID 166357512
propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 39768110
ethyl 2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 46302476
ethyl 4-acetyl-2-[(2-benzamidoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763529
ethyl 2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39764325
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 7601452
ethyl 4-acetyl-2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 18194760
ethyl 4-acetyl-2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetyl]amino]-5-methylfuran-3-carboxylate
CID 8599199
diethyl 2-methyl-5-[2-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]furan-3,4-dicarboxylate
CID 46301139
ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 39768507
ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 39768572

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate (CID 39764707) is ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is BPKZZPBVAOUDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-6-30-23(29)20-19(14(4)26)15(5)31-22(20)24-17(27)11-25-18(28)10-13(3)16-9-7-8-12(2)21(16)25/h7-10H,6,11H2,1-5H3,(H,24,27).
What are the key properties of ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 424.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 39764707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).