4-(3-nitroquinolin-4-yl)oxyaniline

C15H11N3O3 — CID 103964824

IUPAC4-(3-nitroquinolin-4-yl)oxyaniline
SMILESNc1ccc(Oc2c([N+](=O)[O-])cnc3ccccc23)cc1
InChIInChI=1S/C15H11N3O3/c16-10-5-7-11(8-6-10)21-15-12-3-1-2-4-13(12)17-9-14(15)18(19)20/h1-9H,16H2
InChIKeyMGFBLLPXHHSHMO-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.52
Rot. Bonds3

About 4-(3-nitroquinolin-4-yl)oxyaniline

4-(3-nitroquinolin-4-yl)oxyaniline (PubChem CID 103964824) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(3-nitroquinolin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(3-nitroquinolin-4-yl)oxyaniline
PubChem CID103964824
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-(3-nitroquinolin-4-yl)oxyaniline
SMILESNc1ccc(Oc2c([N+](=O)[O-])cnc3ccccc23)cc1
InChIInChI=1S/C15H11N3O3/c16-10-5-7-11(8-6-10)21-15-12-3-1-2-4-13(12)17-9-14(15)18(19)20/h1-9H,16H2
InChIKeyMGFBLLPXHHSHMO-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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

3-(3-nitroquinolin-4-yl)oxyaniline
CID 103964825
4-(3-bromophenoxy)-3-nitroquinoline
CID 103963835
4-(2-bromophenoxy)-3-nitroquinoline
CID 103963836
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
4-(5-nitropyrimidin-2-yl)oxyaniline
CID 61147692
3-nitroquinoline-4-carboxamide
CID 19034747
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
4-chloro-3-nitroquinoline;ethane
CID 90799881
2-methyl-1-(3-nitroquinolin-4-yl)propan-1-amine
CID 174742802
6-methoxy-3-nitro-4-phenylquinoline
CID 139655167
4-(4-methylsulfanylphenoxy)quinolin-3-amine
CID 103963721
6-methoxy-4-methyl-3-nitroquinoline
CID 612778

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitroquinolin-4-yl)oxyaniline?
The IUPAC name of 4-(3-nitroquinolin-4-yl)oxyaniline (CID 103964824) is 4-(3-nitroquinolin-4-yl)oxyaniline.
What is the SMILES notation for 4-(3-nitroquinolin-4-yl)oxyaniline?
The canonical SMILES for 4-(3-nitroquinolin-4-yl)oxyaniline is Nc1ccc(Oc2c([N+](=O)[O-])cnc3ccccc23)cc1.
What is the InChIKey of 4-(3-nitroquinolin-4-yl)oxyaniline?
The InChIKey is MGFBLLPXHHSHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-10-5-7-11(8-6-10)21-15-12-3-1-2-4-13(12)17-9-14(15)18(19)20/h1-9H,16H2.
What are the key properties of 4-(3-nitroquinolin-4-yl)oxyaniline?
4-(3-nitroquinolin-4-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 4-(3-nitroquinolin-4-yl)oxyaniline is sourced from PubChem (CID 103964824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).