diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate

C17H19NO5 — CID 11359009

IUPACdiethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
SMILESCCOC(=O)c1ccc2c(c1)c(C(=O)OCC)cc(=O)n2CC
InChIInChI=1S/C17H19NO5/c1-4-18-14-8-7-11(16(20)22-5-2)9-12(14)13(10-15(18)19)17(21)23-6-3/h7-10H,4-6H2,1-3H3
InChIKeyWTCGIYFLSFVSII-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.37
Rot. Bonds5

About diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate

diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate (PubChem CID 11359009) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
PubChem CID11359009
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namediethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
SMILESCCOC(=O)c1ccc2c(c1)c(C(=O)OCC)cc(=O)n2CC
InChIInChI=1S/C17H19NO5/c1-4-18-14-8-7-11(16(20)22-5-2)9-12(14)13(10-15(18)19)17(21)23-6-3/h7-10H,4-6H2,1-3H3
InChIKeyWTCGIYFLSFVSII-UHFFFAOYSA-N
XLogP2.37
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 139626680
ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
ethyl 3-benzoyl-1-ethylindole-5-carboxylate
CID 170857423
diethyl 4-oxoquinoline-1,6-dicarboxylate
CID 132565800
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
CID 118658750
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 3-butyl-1-methylindole-5-carboxylate
CID 21086101
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate
CID 10968558
diethyl 2-hydroperoxybenzene-1,4-dicarboxylate
CID 174358590

Frequently Asked Questions

What is the IUPAC name of diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate?
The IUPAC name of diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate (CID 11359009) is diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate.
What is the SMILES notation for diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate?
The canonical SMILES for diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate is CCOC(=O)c1ccc2c(c1)c(C(=O)OCC)cc(=O)n2CC.
What is the InChIKey of diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate?
The InChIKey is WTCGIYFLSFVSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-4-18-14-8-7-11(16(20)22-5-2)9-12(14)13(10-15(18)19)17(21)23-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate?
diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate is sourced from PubChem (CID 11359009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).