8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate

C16H8NO4- — CID 7213260

IUPAC8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate
SMILESO=C([O-])c1c2ccccc2[nH]c2c1oc1cc(=O)ccc12
InChIInChI=1S/C16H9NO4/c18-8-5-6-10-12(7-8)21-15-13(16(19)20)9-3-1-2-4-11(9)17-14(10)15/h1-7,17H,(H,19,20)/p-1
InChIKeyHGONVYOYHUIPNV-UHFFFAOYSA-M
MW278.24 g/mol
LogP1.79
Rot. Bonds1

About 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate

8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate (PubChem CID 7213260) has the molecular formula C16H8NO4- and a molecular weight of 278.24 g/mol. Its IUPAC name is 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate.

Molecular Properties

Compound Name8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate
PubChem CID7213260
Molecular FormulaC16H8NO4-
Molecular Weight278.24 g/mol
Exact Mass278.05
IUPAC Name8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate
SMILESO=C([O-])c1c2ccccc2[nH]c2c1oc1cc(=O)ccc12
InChIInChI=1S/C16H9NO4/c18-8-5-6-10-12(7-8)21-15-13(16(19)20)9-3-1-2-4-11(9)17-14(10)15/h1-7,17H,(H,19,20)/p-1
InChIKeyHGONVYOYHUIPNV-UHFFFAOYSA-M
XLogP1.79
TPSA86.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate?
The IUPAC name of 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate (CID 7213260) is 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate.
What is the SMILES notation for 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate?
The canonical SMILES for 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate is O=C([O-])c1c2ccccc2[nH]c2c1oc1cc(=O)ccc12.
What is the InChIKey of 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate?
The InChIKey is HGONVYOYHUIPNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H9NO4/c18-8-5-6-10-12(7-8)21-15-13(16(19)20)9-3-1-2-4-11(9)17-14(10)15/h1-7,17H,(H,19,20)/p-1.
What are the key properties of 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate?
8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate has a molecular weight of 278.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate is sourced from PubChem (CID 7213260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).