5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid

C13H8N2O3 — CID 118009873

IUPAC5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=NC(=O)C1C=CN=CC=21
InChIInChI=1S/C13H8N2O3/c16-12-9-3-4-14-6-10(9)8-2-1-7(13(17)18)5-11(8)15-12/h1-6,9H,(H,17,18)
InChIKeyKOKRDQNBPZXNQA-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.09
Rot. Bonds1

About 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid

5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 118009873) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID118009873
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=NC(=O)C1C=CN=CC=21
InChIInChI=1S/C13H8N2O3/c16-12-9-3-4-14-6-10(9)8-2-1-7(13(17)18)5-11(8)15-12/h1-6,9H,(H,17,18)
InChIKeyKOKRDQNBPZXNQA-UHFFFAOYSA-N
XLogP-0.09
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 118009873) is 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)=NC(=O)C1C=CN=CC=21.
What is the InChIKey of 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is KOKRDQNBPZXNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-12-9-3-4-14-6-10(9)8-2-1-7(13(17)18)5-11(8)15-12/h1-6,9H,(H,17,18).
What are the key properties of 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4aH-benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 118009873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).