N-chloro-4-quinolin-3-yloxyaniline

C15H11ClN2O — CID 18511535

IUPACN-chloro-4-quinolin-3-yloxyaniline
SMILESClNc1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11ClN2O/c16-18-12-5-7-13(8-6-12)19-14-9-11-3-1-2-4-15(11)17-10-14/h1-10,18H
InChIKeyXJJSXJGHLXVRJJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.59
Rot. Bonds3

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

N-chloro-4-quinolin-3-yloxyaniline (PubChem CID 18511535) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is N-chloro-4-quinolin-3-yloxyaniline.

Molecular Properties

Compound NameN-chloro-4-quinolin-3-yloxyaniline
PubChem CID18511535
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC NameN-chloro-4-quinolin-3-yloxyaniline
SMILESClNc1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11ClN2O/c16-18-12-5-7-13(8-6-12)19-14-9-11-3-1-2-4-15(11)17-10-14/h1-10,18H
InChIKeyXJJSXJGHLXVRJJ-UHFFFAOYSA-N
XLogP4.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-4-quinolin-3-yloxyaniline?
The IUPAC name of N-chloro-4-quinolin-3-yloxyaniline (CID 18511535) is N-chloro-4-quinolin-3-yloxyaniline.
What is the SMILES notation for N-chloro-4-quinolin-3-yloxyaniline?
The canonical SMILES for N-chloro-4-quinolin-3-yloxyaniline is ClNc1ccc(Oc2cnc3ccccc3c2)cc1.
What is the InChIKey of N-chloro-4-quinolin-3-yloxyaniline?
The InChIKey is XJJSXJGHLXVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-18-12-5-7-13(8-6-12)19-14-9-11-3-1-2-4-15(11)17-10-14/h1-10,18H.
What are the key properties of N-chloro-4-quinolin-3-yloxyaniline?
N-chloro-4-quinolin-3-yloxyaniline has a molecular weight of 270.72 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-quinolin-3-yloxyaniline is sourced from PubChem (CID 18511535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).