12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid

C20H15NO5 — CID 139336098

IUPAC12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
SMILESO=C(O)c1cn2c(cc1=O)-c1cc(-c3ccoc3)c3c(c1CC2)CCO3
InChIInChI=1S/C20H15NO5/c22-18-8-17-15-7-14(11-2-5-25-10-11)19-13(3-6-26-19)12(15)1-4-21(17)9-16(18)20(23)24/h2,5,7-10H,1,3-4,6H2,(H,23,24)
InChIKeyRZTNZMPILKQUML-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.96
Rot. Bonds2

About 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid

12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid (PubChem CID 139336098) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid.

Molecular Properties

Compound Name12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
PubChem CID139336098
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
SMILESO=C(O)c1cn2c(cc1=O)-c1cc(-c3ccoc3)c3c(c1CC2)CCO3
InChIInChI=1S/C20H15NO5/c22-18-8-17-15-7-14(11-2-5-25-10-11)19-13(3-6-26-19)12(15)1-4-21(17)9-16(18)20(23)24/h2,5,7-10H,1,3-4,6H2,(H,23,24)
InChIKeyRZTNZMPILKQUML-UHFFFAOYSA-N
XLogP2.96
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid?
The IUPAC name of 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid (CID 139336098) is 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid.
What is the SMILES notation for 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid?
The canonical SMILES for 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid is O=C(O)c1cn2c(cc1=O)-c1cc(-c3ccoc3)c3c(c1CC2)CCO3.
What is the InChIKey of 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid?
The InChIKey is RZTNZMPILKQUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c22-18-8-17-15-7-14(11-2-5-25-10-11)19-13(3-6-26-19)12(15)1-4-21(17)9-16(18)20(23)24/h2,5,7-10H,1,3-4,6H2,(H,23,24).
What are the key properties of 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid?
12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid has a molecular weight of 349.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(furan-3-yl)-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid is sourced from PubChem (CID 139336098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).