2-(6-nitroquinolin-2-yl)oxyaniline

C15H11N3O3 — CID 61028337

IUPAC2-(6-nitroquinolin-2-yl)oxyaniline
SMILESNc1ccccc1Oc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H11N3O3/c16-12-3-1-2-4-14(12)21-15-8-5-10-9-11(18(19)20)6-7-13(10)17-15/h1-9H,16H2
InChIKeyDQXYOSNUNWUJJX-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.52
Rot. Bonds3

About 2-(6-nitroquinolin-2-yl)oxyaniline

2-(6-nitroquinolin-2-yl)oxyaniline (PubChem CID 61028337) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(6-nitroquinolin-2-yl)oxyaniline.

Molecular Properties

Compound Name2-(6-nitroquinolin-2-yl)oxyaniline
PubChem CID61028337
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-(6-nitroquinolin-2-yl)oxyaniline
SMILESNc1ccccc1Oc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H11N3O3/c16-12-3-1-2-4-14(12)21-15-8-5-10-9-11(18(19)20)6-7-13(10)17-15/h1-9H,16H2
InChIKeyDQXYOSNUNWUJJX-UHFFFAOYSA-N
XLogP3.52
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-6-nitroquinoline
CID 155587947
2-(2-methylpropoxy)-6-nitroquinoline
CID 155587922
2-naphthalen-1-yloxy-5-nitroaniline
CID 62508135
5-fluoro-2-quinolin-2-yloxyaniline
CID 62370174
3-nitroacridin-9-amine
CID 26592
6-(2-fluoro-4-nitrophenoxy)pyridin-2-amine
CID 80653072
8-nitrophenanthridin-6-amine
CID 90682315
6-nitro-2-(2-phenylethenyl)quinoline
CID 54158128
6-(2-bromophenoxy)-4-nitropyridin-2-amine
CID 114071337
aniline;2-methoxy-4-nitroaniline
CID 154966148
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 113369611

Frequently Asked Questions

What is the IUPAC name of 2-(6-nitroquinolin-2-yl)oxyaniline?
The IUPAC name of 2-(6-nitroquinolin-2-yl)oxyaniline (CID 61028337) is 2-(6-nitroquinolin-2-yl)oxyaniline.
What is the SMILES notation for 2-(6-nitroquinolin-2-yl)oxyaniline?
The canonical SMILES for 2-(6-nitroquinolin-2-yl)oxyaniline is Nc1ccccc1Oc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-(6-nitroquinolin-2-yl)oxyaniline?
The InChIKey is DQXYOSNUNWUJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-12-3-1-2-4-14(12)21-15-8-5-10-9-11(18(19)20)6-7-13(10)17-15/h1-9H,16H2.
What are the key properties of 2-(6-nitroquinolin-2-yl)oxyaniline?
2-(6-nitroquinolin-2-yl)oxyaniline has a molecular weight of 281.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitroquinolin-2-yl)oxyaniline is sourced from PubChem (CID 61028337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).