6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one

C25H32N2O3 — CID 86301469

IUPAC6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1CCc1ccccc1
InChIInChI=1S/C25H32N2O3/c28-25-11-8-22-20-23(30-17-5-4-13-26-15-18-29-19-16-26)9-10-24(22)27(25)14-12-21-6-2-1-3-7-21/h1-3,6-7,9-10,20H,4-5,8,11-19H2
InChIKeyIHLBUBWSMMXXMZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.70
Rot. Bonds9

About 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one

6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one (PubChem CID 86301469) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one
PubChem CID86301469
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1CCc1ccccc1
InChIInChI=1S/C25H32N2O3/c28-25-11-8-22-20-23(30-17-5-4-13-26-15-18-29-19-16-26)9-10-24(22)27(25)14-12-21-6-2-1-3-7-21/h1-3,6-7,9-10,20H,4-5,8,11-19H2
InChIKeyIHLBUBWSMMXXMZ-UHFFFAOYSA-N
XLogP3.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one (CID 86301469) is 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(OCCCCN3CCOCC3)ccc2N1CCc1ccccc1.
What is the InChIKey of 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is IHLBUBWSMMXXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c28-25-11-8-22-20-23(30-17-5-4-13-26-15-18-29-19-16-26)9-10-24(22)27(25)14-12-21-6-2-1-3-7-21/h1-3,6-7,9-10,20H,4-5,8,11-19H2.
What are the key properties of 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one?
6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 408.54 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylbutoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86301469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).