2-ethoxy-4-quinolin-7-yloxyaniline

C17H16N2O2 — CID 107313220

IUPAC2-ethoxy-4-quinolin-7-yloxyaniline
SMILESCCOc1cc(Oc2ccc3cccnc3c2)ccc1N
InChIInChI=1S/C17H16N2O2/c1-2-20-17-11-14(7-8-15(17)18)21-13-6-5-12-4-3-9-19-16(12)10-13/h3-11H,2,18H2,1H3
InChIKeyWJNSXBSHBRIQMV-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.01
Rot. Bonds4

About 2-ethoxy-4-quinolin-7-yloxyaniline

2-ethoxy-4-quinolin-7-yloxyaniline (PubChem CID 107313220) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-ethoxy-4-quinolin-7-yloxyaniline.

Molecular Properties

Compound Name2-ethoxy-4-quinolin-7-yloxyaniline
PubChem CID107313220
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-ethoxy-4-quinolin-7-yloxyaniline
SMILESCCOc1cc(Oc2ccc3cccnc3c2)ccc1N
InChIInChI=1S/C17H16N2O2/c1-2-20-17-11-14(7-8-15(17)18)21-13-6-5-12-4-3-9-19-16(12)10-13/h3-11H,2,18H2,1H3
InChIKeyWJNSXBSHBRIQMV-UHFFFAOYSA-N
XLogP4.01
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.01
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 2-ethoxy-4-quinolin-7-yloxyaniline?
The IUPAC name of 2-ethoxy-4-quinolin-7-yloxyaniline (CID 107313220) is 2-ethoxy-4-quinolin-7-yloxyaniline.
What is the SMILES notation for 2-ethoxy-4-quinolin-7-yloxyaniline?
The canonical SMILES for 2-ethoxy-4-quinolin-7-yloxyaniline is CCOc1cc(Oc2ccc3cccnc3c2)ccc1N.
What is the InChIKey of 2-ethoxy-4-quinolin-7-yloxyaniline?
The InChIKey is WJNSXBSHBRIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-20-17-11-14(7-8-15(17)18)21-13-6-5-12-4-3-9-19-16(12)10-13/h3-11H,2,18H2,1H3.
What are the key properties of 2-ethoxy-4-quinolin-7-yloxyaniline?
2-ethoxy-4-quinolin-7-yloxyaniline has a molecular weight of 280.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-quinolin-7-yloxyaniline is sourced from PubChem (CID 107313220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).