5-nitroquinoline-8-carboxylic acid

C10H6N2O4 — CID 15405331

IUPAC5-nitroquinoline-8-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C10H6N2O4/c13-10(14)7-3-4-8(12(15)16)6-2-1-5-11-9(6)7/h1-5H,(H,13,14)
InChIKeyHXHZCOASPJWXPP-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.84
Rot. Bonds2

About 5-nitroquinoline-8-carboxylic acid

5-nitroquinoline-8-carboxylic acid (PubChem CID 15405331) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is 5-nitroquinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-nitroquinoline-8-carboxylic acid
PubChem CID15405331
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name5-nitroquinoline-8-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C10H6N2O4/c13-10(14)7-3-4-8(12(15)16)6-2-1-5-11-9(6)7/h1-5H,(H,13,14)
InChIKeyHXHZCOASPJWXPP-UHFFFAOYSA-N
XLogP1.84
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-nitrobenzo[b][1,8]naphthyridine-9-carboxylic acid
CID 10355710
4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid
CID 120528257
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
aniline;5-nitroquinolin-8-ol
CID 90427564
benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride
CID 51353266
2-[methyl-(5-nitroquinolin-8-yl)amino]acetic acid
CID 43450052
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
1-cyclopropyl-2-(5-nitroquinolin-8-yl)ethanone
CID 63355452
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781

Frequently Asked Questions

What is the IUPAC name of 5-nitroquinoline-8-carboxylic acid?
The IUPAC name of 5-nitroquinoline-8-carboxylic acid (CID 15405331) is 5-nitroquinoline-8-carboxylic acid.
What is the SMILES notation for 5-nitroquinoline-8-carboxylic acid?
The canonical SMILES for 5-nitroquinoline-8-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 5-nitroquinoline-8-carboxylic acid?
The InChIKey is HXHZCOASPJWXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-10(14)7-3-4-8(12(15)16)6-2-1-5-11-9(6)7/h1-5H,(H,13,14).
What are the key properties of 5-nitroquinoline-8-carboxylic acid?
5-nitroquinoline-8-carboxylic acid has a molecular weight of 218.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroquinoline-8-carboxylic acid is sourced from PubChem (CID 15405331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).