5-[(4-ethoxyanilino)methyl]quinolin-8-ol

C18H18N2O2 — CID 3156672

IUPAC5-[(4-ethoxyanilino)methyl]quinolin-8-ol
SMILESCCOc1ccc(NCc2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3
InChIKeyXIXMMIAXZQPUCX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.95
Rot. Bonds5

About 5-[(4-ethoxyanilino)methyl]quinolin-8-ol

5-[(4-ethoxyanilino)methyl]quinolin-8-ol (PubChem CID 3156672) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[(4-ethoxyanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-ethoxyanilino)methyl]quinolin-8-ol
PubChem CID3156672
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-[(4-ethoxyanilino)methyl]quinolin-8-ol
SMILESCCOc1ccc(NCc2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3
InChIKeyXIXMMIAXZQPUCX-UHFFFAOYSA-N
XLogP3.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyanilino)methyl]quinolin-8-ol?
The IUPAC name of 5-[(4-ethoxyanilino)methyl]quinolin-8-ol (CID 3156672) is 5-[(4-ethoxyanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-ethoxyanilino)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-ethoxyanilino)methyl]quinolin-8-ol is CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1.
What is the InChIKey of 5-[(4-ethoxyanilino)methyl]quinolin-8-ol?
The InChIKey is XIXMMIAXZQPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3.
What are the key properties of 5-[(4-ethoxyanilino)methyl]quinolin-8-ol?
5-[(4-ethoxyanilino)methyl]quinolin-8-ol has a molecular weight of 294.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 3156672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).