3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline

C16H13ClN2O2 — CID 90017152

IUPAC3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
SMILESCOc1ccc2c(Oc3ccc(N)cc3Cl)ccnc2c1
InChIInChI=1S/C16H13ClN2O2/c1-20-11-3-4-12-14(9-11)19-7-6-15(12)21-16-5-2-10(18)8-13(16)17/h2-9H,18H2,1H3
InChIKeyLAFOVGDWWNNDTC-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.27
Rot. Bonds3

About 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline

3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline (PubChem CID 90017152) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
PubChem CID90017152
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
SMILESCOc1ccc2c(Oc3ccc(N)cc3Cl)ccnc2c1
InChIInChI=1S/C16H13ClN2O2/c1-20-11-3-4-12-14(9-11)19-7-6-15(12)21-16-5-2-10(18)8-13(16)17/h2-9H,18H2,1H3
InChIKeyLAFOVGDWWNNDTC-UHFFFAOYSA-N
XLogP4.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(7-methoxyquinolin-4-yl)oxyaniline?
The IUPAC name of 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline (CID 90017152) is 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline.
What is the SMILES notation for 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline?
The canonical SMILES for 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline is COc1ccc2c(Oc3ccc(N)cc3Cl)ccnc2c1.
What is the InChIKey of 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline?
The InChIKey is LAFOVGDWWNNDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-11-3-4-12-14(9-11)19-7-6-15(12)21-16-5-2-10(18)8-13(16)17/h2-9H,18H2,1H3.
What are the key properties of 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline?
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline has a molecular weight of 300.75 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline is sourced from PubChem (CID 90017152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).