ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate

C23H25N3O6 — CID 39765123

IUPACethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)Cn2c(=O)cc(C)c3cc(C)cc(C)c32)c1C(N)=O
InChIInChI=1S/C23H25N3O6/c1-6-31-23(30)18-14(5)32-22(19(18)21(24)29)25-16(27)10-26-17(28)9-12(3)15-8-11(2)7-13(4)20(15)26/h7-9H,6,10H2,1-5H3,(H2,24,29)(H,25,27)
InChIKeyYSUINMIAMHQDEG-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.74
Rot. Bonds6

About ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate

ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate (PubChem CID 39765123) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate
PubChem CID39765123
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Nameethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)Cn2c(=O)cc(C)c3cc(C)cc(C)c32)c1C(N)=O
InChIInChI=1S/C23H25N3O6/c1-6-31-23(30)18-14(5)32-22(19(18)21(24)29)25-16(27)10-26-17(28)9-12(3)15-8-11(2)7-13(4)20(15)26/h7-9H,6,10H2,1-5H3,(H2,24,29)(H,25,27)
InChIKeyYSUINMIAMHQDEG-UHFFFAOYSA-N
XLogP2.74
TPSA133.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate with MolForge

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Related Compounds

ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate
CID 39764707
ethyl 4-phenyl-2-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 39768380
2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 39768438
ethyl 4-carbamoyl-5-[3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 39774439
N-phenyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768322
ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9229093
ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 46301610
N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768430
diethyl 2-methyl-5-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]furan-3,4-dicarboxylate
CID 39767306
ethyl 4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzoate
CID 39768405
ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate (CID 39765123) is ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)Cn2c(=O)cc(C)c3cc(C)cc(C)c32)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate?
The InChIKey is YSUINMIAMHQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-6-31-23(30)18-14(5)32-22(19(18)21(24)29)25-16(27)10-26-17(28)9-12(3)15-8-11(2)7-13(4)20(15)26/h7-9H,6,10H2,1-5H3,(H2,24,29)(H,25,27).
What are the key properties of ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate?
ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate has a molecular weight of 439.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-2-methyl-5-[[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetyl]amino]furan-3-carboxylate is sourced from PubChem (CID 39765123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).