10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid

C13H8N2O3 — CID 20811575

IUPAC10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2[nH]c3ccccc3c(=O)c2cn1
InChIInChI=1S/C13H8N2O3/c16-12-7-3-1-2-4-9(7)15-10-5-11(13(17)18)14-6-8(10)12/h1-6H,(H,15,16)(H,17,18)
InChIKeyYKNYJGTZWPEDAN-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.77
Rot. Bonds1

About 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid

10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid (PubChem CID 20811575) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid
PubChem CID20811575
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2[nH]c3ccccc3c(=O)c2cn1
InChIInChI=1S/C13H8N2O3/c16-12-7-3-1-2-4-9(7)15-10-5-11(13(17)18)14-6-8(10)12/h1-6H,(H,15,16)(H,17,18)
InChIKeyYKNYJGTZWPEDAN-UHFFFAOYSA-N
XLogP1.77
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
10H-acridin-9-one
CID 22753806
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
10H-acridin-9-one;ethane
CID 91525380
9H-carbazole;carbonic acid
CID 67577328
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
2-iodo-9-oxo-10H-acridine-4-carboxylic acid
CID 59228731
benzoic acid;9H-carbazole
CID 162147282
9H-pyrimido[4,5-b]indole-2-carboxylic acid
CID 82394262
5H-pyrimido[5,4-b]indole-2-carboxylic acid
CID 13321935
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
CID 139905975
1-(9H-pyrido[3,4-b]indol-3-yl)butan-1-one
CID 4713438

Frequently Asked Questions

What is the IUPAC name of 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid?
The IUPAC name of 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid (CID 20811575) is 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid.
What is the SMILES notation for 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid?
The canonical SMILES for 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid is O=C(O)c1cc2[nH]c3ccccc3c(=O)c2cn1.
What is the InChIKey of 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid?
The InChIKey is YKNYJGTZWPEDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-12-7-3-1-2-4-9(7)15-10-5-11(13(17)18)14-6-8(10)12/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid?
10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 20811575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).