ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate

C23H25N3O7 — CID 46301610

IUPACethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)n2c(=O)cc(C)c3cccc(OC)c32)c1C(N)=O
InChIInChI=1S/C23H25N3O7/c1-6-32-23(30)17-13(4)33-22(18(17)20(24)28)25-21(29)12(3)26-16(27)10-11(2)14-8-7-9-15(31-5)19(14)26/h7-10,12H,6H2,1-5H3,(H2,24,28)(H,25,29)
InChIKeyZDFXTFPNVBJBHD-UHFFFAOYSA-N
MW455.47 g/mol
LogP2.70
Rot. Bonds7

About ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate (PubChem CID 46301610) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate
PubChem CID46301610
Molecular FormulaC23H25N3O7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC Nameethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)n2c(=O)cc(C)c3cccc(OC)c32)c1C(N)=O
InChIInChI=1S/C23H25N3O7/c1-6-32-23(30)17-13(4)33-22(18(17)20(24)28)25-21(29)12(3)26-16(27)10-11(2)14-8-7-9-15(31-5)19(14)26/h7-10,12H,6H2,1-5H3,(H2,24,28)(H,25,29)
InChIKeyZDFXTFPNVBJBHD-UHFFFAOYSA-N
XLogP2.70
TPSA142.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

diethyl 2-methyl-5-[2-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]furan-3,4-dicarboxylate
CID 46301139
ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 46306856
N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 46301475
ethyl 4-carbamoyl-5-[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoylamino]-2-methylfuran-3-carboxylate
CID 46304254
8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one
CID 46302487
2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46301468
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 46301467
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate
CID 46301544
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-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate
CID 39764707
N-(3,4-dimethylphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301501

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate (CID 46301610) is ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)C(C)n2c(=O)cc(C)c3cccc(OC)c32)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate?
The InChIKey is ZDFXTFPNVBJBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O7/c1-6-32-23(30)17-13(4)33-22(18(17)20(24)28)25-21(29)12(3)26-16(27)10-11(2)14-8-7-9-15(31-5)19(14)26/h7-10,12H,6H2,1-5H3,(H2,24,28)(H,25,29).
What are the key properties of ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate has a molecular weight of 455.47 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 46301610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).