2-(8-nitroquinolin-5-yl)oxyaniline

C15H11N3O3 — CID 61027570

IUPAC2-(8-nitroquinolin-5-yl)oxyaniline
SMILESNc1ccccc1Oc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C15H11N3O3/c16-11-5-1-2-6-14(11)21-13-8-7-12(18(19)20)15-10(13)4-3-9-17-15/h1-9H,16H2
InChIKeySDIMPKRINPCEMI-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.52
Rot. Bonds3

About 2-(8-nitroquinolin-5-yl)oxyaniline

2-(8-nitroquinolin-5-yl)oxyaniline (PubChem CID 61027570) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(8-nitroquinolin-5-yl)oxyaniline.

Molecular Properties

Compound Name2-(8-nitroquinolin-5-yl)oxyaniline
PubChem CID61027570
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-(8-nitroquinolin-5-yl)oxyaniline
SMILESNc1ccccc1Oc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C15H11N3O3/c16-11-5-1-2-6-14(11)21-13-8-7-12(18(19)20)15-10(13)4-3-9-17-15/h1-9H,16H2
InChIKeySDIMPKRINPCEMI-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

4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine
CID 116525775
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
3-(8-nitroquinolin-5-yl)oxypropanehydrazide
CID 116525701
8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 164876680
methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
3-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
CID 116525665
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
2,2-dimethyl-3-(8-nitroquinolin-5-yl)oxypropanoic acid
CID 116524918
5-(2-bromo-3,3,3-trifluoropropoxy)-8-nitroquinoline
CID 116525103

Frequently Asked Questions

What is the IUPAC name of 2-(8-nitroquinolin-5-yl)oxyaniline?
The IUPAC name of 2-(8-nitroquinolin-5-yl)oxyaniline (CID 61027570) is 2-(8-nitroquinolin-5-yl)oxyaniline.
What is the SMILES notation for 2-(8-nitroquinolin-5-yl)oxyaniline?
The canonical SMILES for 2-(8-nitroquinolin-5-yl)oxyaniline is Nc1ccccc1Oc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 2-(8-nitroquinolin-5-yl)oxyaniline?
The InChIKey is SDIMPKRINPCEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-11-5-1-2-6-14(11)21-13-8-7-12(18(19)20)15-10(13)4-3-9-17-15/h1-9H,16H2.
What are the key properties of 2-(8-nitroquinolin-5-yl)oxyaniline?
2-(8-nitroquinolin-5-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-(8-nitroquinolin-5-yl)oxyaniline is sourced from PubChem (CID 61027570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).