6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid

C11H10N2O5 — CID 114553168

IUPAC6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCc1cc2c(c([N+](=O)[O-])c1)NC(=O)C(C(=O)O)C2
InChIInChI=1S/C11H10N2O5/c1-5-2-6-4-7(11(15)16)10(14)12-9(6)8(3-5)13(17)18/h2-3,7H,4H2,1H3,(H,12,14)(H,15,16)
InChIKeyYEBFFUKZGCAUKK-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.10
Rot. Bonds2

About 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid

6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid (PubChem CID 114553168) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
PubChem CID114553168
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCc1cc2c(c([N+](=O)[O-])c1)NC(=O)C(C(=O)O)C2
InChIInChI=1S/C11H10N2O5/c1-5-2-6-4-7(11(15)16)10(14)12-9(6)8(3-5)13(17)18/h2-3,7H,4H2,1H3,(H,12,14)(H,15,16)
InChIKeyYEBFFUKZGCAUKK-UHFFFAOYSA-N
XLogP1.10
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553170
2,4-dimethyl-6-nitrobenzoic acid
CID 53416170
4-methyl-2-nitro-6-piperazin-1-ylphenol
CID 4738823
N-(5-methyl-7-nitro-3H-1-benzofuran-2-ylidene)hydroxylamine
CID 174932228
5-fluoro-3-hydroxy-7-nitro-1,3-dihydroindol-2-one
CID 61361234
6-hydroxy-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 71376841
(3S,4S)-1-(2,5-dimethyl-3-nitrophenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103860
3-bromo-4-(4-methyl-2-nitrophenyl)pyrrolidine-2,5-dione
CID 106695220
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433
1-(2,5-dimethyl-3-nitrophenyl)piperazine
CID 4738795
5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
ethyl 5-methoxy-7-nitro-2,3-dihydro-1H-indole-2-carboxylate
CID 70928785

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid (CID 114553168) is 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid is Cc1cc2c(c([N+](=O)[O-])c1)NC(=O)C(C(=O)O)C2.
What is the InChIKey of 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The InChIKey is YEBFFUKZGCAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-5-2-6-4-7(11(15)16)10(14)12-9(6)8(3-5)13(17)18/h2-3,7H,4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 114553168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).