1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine

C18H16N2O — CID 4225285

IUPAC1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine
SMILESCCOc1ccc(/C=N/c2cccc3ncccc23)cc1
InChIInChI=1S/C18H16N2O/c1-2-21-15-10-8-14(9-11-15)13-20-18-7-3-6-17-16(18)5-4-12-19-17/h3-13H,2H2,1H3/b20-13+
InChIKeyLSWLIWVNDOVRID-DEDYPNTBSA-N
MW276.34 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine

1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine (PubChem CID 4225285) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine
PubChem CID4225285
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine
SMILESCCOc1ccc(/C=N/c2cccc3ncccc23)cc1
InChIInChI=1S/C18H16N2O/c1-2-21-15-10-8-14(9-11-15)13-20-18-7-3-6-17-16(18)5-4-12-19-17/h3-13H,2H2,1H3/b20-13+
InChIKeyLSWLIWVNDOVRID-DEDYPNTBSA-N
XLogP4.38
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine (CID 4225285) is 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine is CCOc1ccc(/C=N/c2cccc3ncccc23)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine?
The InChIKey is LSWLIWVNDOVRID-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-21-15-10-8-14(9-11-15)13-20-18-7-3-6-17-16(18)5-4-12-19-17/h3-13H,2H2,1H3/b20-13+.
What are the key properties of 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine?
1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine has a molecular weight of 276.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-quinolin-5-ylmethanimine is sourced from PubChem (CID 4225285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).