3-chloro-4-quinolin-4-yloxyaniline

C15H11ClN2O — CID 61341550

IUPAC3-chloro-4-quinolin-4-yloxyaniline
SMILESNc1ccc(Oc2ccnc3ccccc23)c(Cl)c1
InChIInChI=1S/C15H11ClN2O/c16-12-9-10(17)5-6-15(12)19-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,17H2
InChIKeyLEIOXFHKKADOMH-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.26
Rot. Bonds2

About 3-chloro-4-quinolin-4-yloxyaniline

3-chloro-4-quinolin-4-yloxyaniline (PubChem CID 61341550) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-4-quinolin-4-yloxyaniline.

Molecular Properties

Compound Name3-chloro-4-quinolin-4-yloxyaniline
PubChem CID61341550
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-chloro-4-quinolin-4-yloxyaniline
SMILESNc1ccc(Oc2ccnc3ccccc23)c(Cl)c1
InChIInChI=1S/C15H11ClN2O/c16-12-9-10(17)5-6-15(12)19-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,17H2
InChIKeyLEIOXFHKKADOMH-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-quinolin-4-yloxyaniline?
The IUPAC name of 3-chloro-4-quinolin-4-yloxyaniline (CID 61341550) is 3-chloro-4-quinolin-4-yloxyaniline.
What is the SMILES notation for 3-chloro-4-quinolin-4-yloxyaniline?
The canonical SMILES for 3-chloro-4-quinolin-4-yloxyaniline is Nc1ccc(Oc2ccnc3ccccc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-quinolin-4-yloxyaniline?
The InChIKey is LEIOXFHKKADOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-9-10(17)5-6-15(12)19-14-7-8-18-13-4-2-1-3-11(13)14/h1-9H,17H2.
What are the key properties of 3-chloro-4-quinolin-4-yloxyaniline?
3-chloro-4-quinolin-4-yloxyaniline has a molecular weight of 270.72 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-quinolin-4-yloxyaniline is sourced from PubChem (CID 61341550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).