2-(5-nitroquinolin-6-yl)oxyacetic acid

C11H8N2O5 — CID 114335171

IUPAC2-(5-nitroquinolin-6-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O5/c14-10(15)6-18-9-4-3-8-7(2-1-5-12-8)11(9)13(16)17/h1-5H,6H2,(H,14,15)
InChIKeyNHWZTYQCWLNTBB-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.61
Rot. Bonds4

About 2-(5-nitroquinolin-6-yl)oxyacetic acid

2-(5-nitroquinolin-6-yl)oxyacetic acid (PubChem CID 114335171) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is 2-(5-nitroquinolin-6-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-nitroquinolin-6-yl)oxyacetic acid
PubChem CID114335171
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name2-(5-nitroquinolin-6-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O5/c14-10(15)6-18-9-4-3-8-7(2-1-5-12-8)11(9)13(16)17/h1-5H,6H2,(H,14,15)
InChIKeyNHWZTYQCWLNTBB-UHFFFAOYSA-N
XLogP1.61
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.61
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

3-[(5-nitroquinolin-6-yl)oxymethyl]pentan-3-amine
CID 64571925
2-methyl-1-(5-nitroquinolin-6-yl)oxybutan-2-amine
CID 64571499
1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-one
CID 55163543
5-nitroquinolin-6-ol
CID 3997706
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitroquinolin-6-yl)oxypropanoic acid
CID 162467591
2-[methyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 43809826
5,6-dinitroquinoline
CID 119087514
2-(5-nitroquinolin-6-yl)sulfanylpropanoic acid
CID 43809945
6-iodo-5-nitroquinoline
CID 119093453
ethyl 2-(5-nitroquinolin-6-yl)acetate
CID 53419418
2-[cyclopropyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 60840026
2-(3-methyl-2-nitrophenoxy)acetic acid
CID 43437973

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroquinolin-6-yl)oxyacetic acid?
The IUPAC name of 2-(5-nitroquinolin-6-yl)oxyacetic acid (CID 114335171) is 2-(5-nitroquinolin-6-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-nitroquinolin-6-yl)oxyacetic acid?
The canonical SMILES for 2-(5-nitroquinolin-6-yl)oxyacetic acid is O=C(O)COc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of 2-(5-nitroquinolin-6-yl)oxyacetic acid?
The InChIKey is NHWZTYQCWLNTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c14-10(15)6-18-9-4-3-8-7(2-1-5-12-8)11(9)13(16)17/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(5-nitroquinolin-6-yl)oxyacetic acid?
2-(5-nitroquinolin-6-yl)oxyacetic acid has a molecular weight of 248.19 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroquinolin-6-yl)oxyacetic acid is sourced from PubChem (CID 114335171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).