7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid

C12H7N3O4 — CID 14067489

IUPAC7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid
SMILESO=C(O)c1cn2c(ccc3cc([N+](=O)[O-])ccc32)n1
InChIInChI=1S/C12H7N3O4/c16-12(17)9-6-14-10-3-2-8(15(18)19)5-7(10)1-4-11(14)13-9/h1-6H,(H,16,17)
InChIKeyAVHOUIWGRRNHPG-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.09
Rot. Bonds2

About 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid

7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid (PubChem CID 14067489) has the molecular formula C12H7N3O4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid
PubChem CID14067489
Molecular FormulaC12H7N3O4
Molecular Weight257.21 g/mol
Exact Mass257.04
IUPAC Name7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid
SMILESO=C(O)c1cn2c(ccc3cc([N+](=O)[O-])ccc32)n1
InChIInChI=1S/C12H7N3O4/c16-12(17)9-6-14-10-3-2-8(15(18)19)5-7(10)1-4-11(14)13-9/h1-6H,(H,16,17)
InChIKeyAVHOUIWGRRNHPG-UHFFFAOYSA-N
XLogP2.09
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.09
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

2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872601
8-(trifluoromethyl)imidazo[1,2-a]quinoline-2-carboxylic acid
CID 14067488
3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84740352
5-nitroindol-1-amine
CID 10583430
4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid
CID 43142906
2-(5-nitroindol-1-yl)propanoic acid
CID 60756249
2-methyl-5-nitroindole-1-carboxylic acid
CID 22603625
1-(5-nitroindol-1-yl)ethanol
CID 141070113
2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554576
5-nitro-2-(tetrazol-1-yl)benzoic acid
CID 16774682
1-(2-hydroxyethyl)-5-nitroindole-2-carboxylic acid
CID 70281391
trimethyl-(5-nitroindol-1-yl)silane
CID 553560

Frequently Asked Questions

What is the IUPAC name of 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid?
The IUPAC name of 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid (CID 14067489) is 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid.
What is the SMILES notation for 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid?
The canonical SMILES for 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid is O=C(O)c1cn2c(ccc3cc([N+](=O)[O-])ccc32)n1.
What is the InChIKey of 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid?
The InChIKey is AVHOUIWGRRNHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O4/c16-12(17)9-6-14-10-3-2-8(15(18)19)5-7(10)1-4-11(14)13-9/h1-6H,(H,16,17).
What are the key properties of 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid?
7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid has a molecular weight of 257.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitroimidazo[1,2-a]quinoline-2-carboxylic acid is sourced from PubChem (CID 14067489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).