4-methoxy-6-nitroquinoline-2-carboxylic acid

C11H8N2O5 — CID 676850

IUPAC4-methoxy-6-nitroquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H8N2O5/c1-18-10-5-9(11(14)15)12-8-3-2-6(13(16)17)4-7(8)10/h2-5H,1H3,(H,14,15)
InChIKeyQXUIWGSCIJUQKI-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.85
Rot. Bonds3

About 4-methoxy-6-nitroquinoline-2-carboxylic acid

4-methoxy-6-nitroquinoline-2-carboxylic acid (PubChem CID 676850) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is 4-methoxy-6-nitroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-nitroquinoline-2-carboxylic acid
PubChem CID676850
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name4-methoxy-6-nitroquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H8N2O5/c1-18-10-5-9(11(14)15)12-8-3-2-6(13(16)17)4-7(8)10/h2-5H,1H3,(H,14,15)
InChIKeyQXUIWGSCIJUQKI-UHFFFAOYSA-N
XLogP1.85
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid
CID 102941998
2,3-dimethoxy-5-nitrobenzoic acid
CID 12007954
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
4-ethoxy-6-nitro-2-[(Z)-1-[(Z)-prop-1-enyl]sulfanylprop-1-enyl]quinoline
CID 171536462
2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline
CID 59213654
methyl 2-[2-(4-methylphenyl)-6-nitroquinolin-4-yl]oxyacetate
CID 46507429
1-hydroxy-6-nitro-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 11163755
1-methoxy-N-methyl-7-nitroacridin-9-amine
CID 71397248

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-nitroquinoline-2-carboxylic acid?
The IUPAC name of 4-methoxy-6-nitroquinoline-2-carboxylic acid (CID 676850) is 4-methoxy-6-nitroquinoline-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-nitroquinoline-2-carboxylic acid?
The canonical SMILES for 4-methoxy-6-nitroquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 4-methoxy-6-nitroquinoline-2-carboxylic acid?
The InChIKey is QXUIWGSCIJUQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c1-18-10-5-9(11(14)15)12-8-3-2-6(13(16)17)4-7(8)10/h2-5H,1H3,(H,14,15).
What are the key properties of 4-methoxy-6-nitroquinoline-2-carboxylic acid?
4-methoxy-6-nitroquinoline-2-carboxylic acid has a molecular weight of 248.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-nitroquinoline-2-carboxylic acid is sourced from PubChem (CID 676850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).