diethyl 4-oxoquinoline-1,6-dicarboxylate

C15H15NO5 — CID 132565800

IUPACdiethyl 4-oxoquinoline-1,6-dicarboxylate
SMILESCCOC(=O)c1ccc2c(c1)c(=O)ccn2C(=O)OCC
InChIInChI=1S/C15H15NO5/c1-3-20-14(18)10-5-6-12-11(9-10)13(17)7-8-16(12)15(19)21-4-2/h5-9H,3-4H2,1-2H3
InChIKeyYLQKQVBJBVIKLG-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.18
Rot. Bonds3

About diethyl 4-oxoquinoline-1,6-dicarboxylate

diethyl 4-oxoquinoline-1,6-dicarboxylate (PubChem CID 132565800) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is diethyl 4-oxoquinoline-1,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-oxoquinoline-1,6-dicarboxylate
PubChem CID132565800
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namediethyl 4-oxoquinoline-1,6-dicarboxylate
SMILESCCOC(=O)c1ccc2c(c1)c(=O)ccn2C(=O)OCC
InChIInChI=1S/C15H15NO5/c1-3-20-14(18)10-5-6-12-11(9-10)13(17)7-8-16(12)15(19)21-4-2/h5-9H,3-4H2,1-2H3
InChIKeyYLQKQVBJBVIKLG-UHFFFAOYSA-N
XLogP2.18
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100741952
diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
CID 11359009
ethyl 1-formylindole-5-carboxylate
CID 139975474
ethyl 6-acetylindole-1-carboxylate
CID 12925082
ethyl 3-butyl-1-methylindole-5-carboxylate
CID 21086101
6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 139626680
ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 10401684
ethyl 2-methyl-4-oxochromene-6-carboxylate
CID 15939970
ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate
CID 10968558
ethyl 7-oxo-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2,4,8,10,12,15,17-octaene-16-carboxylate
CID 135029591
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401

Frequently Asked Questions

What is the IUPAC name of diethyl 4-oxoquinoline-1,6-dicarboxylate?
The IUPAC name of diethyl 4-oxoquinoline-1,6-dicarboxylate (CID 132565800) is diethyl 4-oxoquinoline-1,6-dicarboxylate.
What is the SMILES notation for diethyl 4-oxoquinoline-1,6-dicarboxylate?
The canonical SMILES for diethyl 4-oxoquinoline-1,6-dicarboxylate is CCOC(=O)c1ccc2c(c1)c(=O)ccn2C(=O)OCC.
What is the InChIKey of diethyl 4-oxoquinoline-1,6-dicarboxylate?
The InChIKey is YLQKQVBJBVIKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-3-20-14(18)10-5-6-12-11(9-10)13(17)7-8-16(12)15(19)21-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of diethyl 4-oxoquinoline-1,6-dicarboxylate?
diethyl 4-oxoquinoline-1,6-dicarboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-oxoquinoline-1,6-dicarboxylate is sourced from PubChem (CID 132565800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).