diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate

C15H15NO6 — CID 135932593

IUPACdiethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c(O)c2ncccc2c1O
InChIInChI=1S/C15H15NO6/c1-3-21-14(19)9-10(15(20)22-4-2)13(18)11-8(12(9)17)6-5-7-16-11/h5-7,17-18H,3-4H2,1-2H3
InChIKeyARYDHCJCPJTMLC-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.00
Rot. Bonds4

About diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate

diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate (PubChem CID 135932593) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate.

Molecular Properties

Compound Namediethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate
PubChem CID135932593
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Namediethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c(O)c2ncccc2c1O
InChIInChI=1S/C15H15NO6/c1-3-21-14(19)9-10(15(20)22-4-2)13(18)11-8(12(9)17)6-5-7-16-11/h5-7,17-18H,3-4H2,1-2H3
InChIKeyARYDHCJCPJTMLC-UHFFFAOYSA-N
XLogP2.00
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate?
The IUPAC name of diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate (CID 135932593) is diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate.
What is the SMILES notation for diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate?
The canonical SMILES for diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate is CCOC(=O)c1c(C(=O)OCC)c(O)c2ncccc2c1O.
What is the InChIKey of diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate?
The InChIKey is ARYDHCJCPJTMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-3-21-14(19)9-10(15(20)22-4-2)13(18)11-8(12(9)17)6-5-7-16-11/h5-7,17-18H,3-4H2,1-2H3.
What are the key properties of diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate?
diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate has a molecular weight of 305.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate is sourced from PubChem (CID 135932593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).