4-quinolin-4-yloxyaniline

C15H12N2O — CID 53330117

IUPAC4-quinolin-4-yloxyaniline
SMILESNc1ccc(Oc2ccnc3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c16-11-5-7-12(8-6-11)18-15-9-10-17-14-4-2-1-3-13(14)15/h1-10H,16H2
InChIKeyIWMHEXQDMAAWAX-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.61
Rot. Bonds2

About 4-quinolin-4-yloxyaniline

4-quinolin-4-yloxyaniline (PubChem CID 53330117) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-quinolin-4-yloxyaniline.

Molecular Properties

Compound Name4-quinolin-4-yloxyaniline
PubChem CID53330117
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-quinolin-4-yloxyaniline
SMILESNc1ccc(Oc2ccnc3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c16-11-5-7-12(8-6-11)18-15-9-10-17-14-4-2-1-3-13(14)15/h1-10H,16H2
InChIKeyIWMHEXQDMAAWAX-UHFFFAOYSA-N
XLogP3.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-4-yloxyaniline?
The IUPAC name of 4-quinolin-4-yloxyaniline (CID 53330117) is 4-quinolin-4-yloxyaniline.
What is the SMILES notation for 4-quinolin-4-yloxyaniline?
The canonical SMILES for 4-quinolin-4-yloxyaniline is Nc1ccc(Oc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-quinolin-4-yloxyaniline?
The InChIKey is IWMHEXQDMAAWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-11-5-7-12(8-6-11)18-15-9-10-17-14-4-2-1-3-13(14)15/h1-10H,16H2.
What are the key properties of 4-quinolin-4-yloxyaniline?
4-quinolin-4-yloxyaniline has a molecular weight of 236.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-4-yloxyaniline is sourced from PubChem (CID 53330117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).