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

C24H30N2O3 — CID 86301468

IUPAC6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCN3CCOCC3)ccc2N1CCc1ccccc1
InChIInChI=1S/C24H30N2O3/c27-24-10-7-21-19-22(29-16-4-12-25-14-17-28-18-15-25)8-9-23(21)26(24)13-11-20-5-2-1-3-6-20/h1-3,5-6,8-9,19H,4,7,10-18H2
InChIKeyVIWXYMUZFSFUGB-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.31
Rot. Bonds8

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

6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one (PubChem CID 86301468) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one
PubChem CID86301468
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCCN3CCOCC3)ccc2N1CCc1ccccc1
InChIInChI=1S/C24H30N2O3/c27-24-10-7-21-19-22(29-16-4-12-25-14-17-28-18-15-25)8-9-23(21)26(24)13-11-20-5-2-1-3-6-20/h1-3,5-6,8-9,19H,4,7,10-18H2
InChIKeyVIWXYMUZFSFUGB-UHFFFAOYSA-N
XLogP3.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.31
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-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one (CID 86301468) is 6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(OCCCN3CCOCC3)ccc2N1CCc1ccccc1.
What is the InChIKey of 6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is VIWXYMUZFSFUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-24-10-7-21-19-22(29-16-4-12-25-14-17-28-18-15-25)8-9-23(21)26(24)13-11-20-5-2-1-3-6-20/h1-3,5-6,8-9,19H,4,7,10-18H2.
What are the key properties of 6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one?
6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropoxy)-1-(2-phenylethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86301468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).