2-methyl-6-nitroquinoline-4-carboxylic acid

C11H8N2O4 — CID 16637250

IUPAC2-methyl-6-nitroquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C11H8N2O4/c1-6-4-9(11(14)15)8-5-7(13(16)17)2-3-10(8)12-6/h2-5H,1H3,(H,14,15)
InChIKeyWNJYUNHLOBYDLG-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.15
Rot. Bonds2

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

2-methyl-6-nitroquinoline-4-carboxylic acid (PubChem CID 16637250) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-methyl-6-nitroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-nitroquinoline-4-carboxylic acid
PubChem CID16637250
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name2-methyl-6-nitroquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C11H8N2O4/c1-6-4-9(11(14)15)8-5-7(13(16)17)2-3-10(8)12-6/h2-5H,1H3,(H,14,15)
InChIKeyWNJYUNHLOBYDLG-UHFFFAOYSA-N
XLogP2.15
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.15
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

2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
2-methyl-6-nitroquinolin-4-amine
CID 11735841
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
4-carboxy-2-methylquinolin-6-olate
CID 54706535
6-fluoro-N-(2-hydroxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789694
6-fluoro-N-(2-hydroxy-4-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108802569
6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789696
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
2-[(2-methyl-6-nitroquinolin-4-yl)amino]propan-1-ol
CID 75520155
2,6-dimethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]quinoline-4-carboxamide
CID 29195167
4-methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitroquinoline-4-carboxylic acid?
The IUPAC name of 2-methyl-6-nitroquinoline-4-carboxylic acid (CID 16637250) is 2-methyl-6-nitroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-nitroquinoline-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-nitroquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-methyl-6-nitroquinoline-4-carboxylic acid?
The InChIKey is WNJYUNHLOBYDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-6-4-9(11(14)15)8-5-7(13(16)17)2-3-10(8)12-6/h2-5H,1H3,(H,14,15).
What are the key properties of 2-methyl-6-nitroquinoline-4-carboxylic acid?
2-methyl-6-nitroquinoline-4-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitroquinoline-4-carboxylic acid is sourced from PubChem (CID 16637250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).