1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid

C13H7ClN2O3 — CID 123921843

IUPAC1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c(=O)[nH]c1nccc(Cl)c12
InChIInChI=1S/C13H7ClN2O3/c14-9-3-4-15-11-10(9)7-2-1-6(13(18)19)5-8(7)12(17)16-11/h1-5H,(H,18,19)(H,15,16,17)
InChIKeyLGGIZHWFIUODQY-UHFFFAOYSA-N
MW274.66 g/mol
LogP2.43
Rot. Bonds1

About 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid

1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid (PubChem CID 123921843) has the molecular formula C13H7ClN2O3 and a molecular weight of 274.66 g/mol. Its IUPAC name is 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid
PubChem CID123921843
Molecular FormulaC13H7ClN2O3
Molecular Weight274.66 g/mol
Exact Mass274.01
IUPAC Name1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c(=O)[nH]c1nccc(Cl)c12
InChIInChI=1S/C13H7ClN2O3/c14-9-3-4-15-11-10(9)7-2-1-6(13(18)19)5-8(7)12(17)16-11/h1-5H,(H,18,19)(H,15,16,17)
InChIKeyLGGIZHWFIUODQY-UHFFFAOYSA-N
XLogP2.43
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylic acid
CID 170985444
3-chloro-9H-pyrido[2,3-b]indole-6-carboxylic acid
CID 46185400
1,3-dihydroxy-2H-isoindole-5-carboxylic acid
CID 170693608
tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate
CID 44602825
4-amino-9H-pyrimido[4,5-b]indole-7-carboxylic acid
CID 175364145
3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid
CID 142195716
4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
CID 169079762
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
CID 13421630
4-[[(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)amino]methyl]benzoic acid
CID 58167949
2-(trideuteriomethyl)pyridine-4-carboxylic acid
CID 175823393
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid?
The IUPAC name of 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid (CID 123921843) is 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid?
The canonical SMILES for 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)c(=O)[nH]c1nccc(Cl)c12.
What is the InChIKey of 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid?
The InChIKey is LGGIZHWFIUODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O3/c14-9-3-4-15-11-10(9)7-2-1-6(13(18)19)5-8(7)12(17)16-11/h1-5H,(H,18,19)(H,15,16,17).
What are the key properties of 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid?
1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid has a molecular weight of 274.66 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 123921843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).