7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

C15H21NO4 — CID 114939923

IUPAC7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOC(COc1ccc2c(c1)NC(=O)CC2)OCC
InChIInChI=1S/C15H21NO4/c1-3-18-15(19-4-2)10-20-12-7-5-11-6-8-14(17)16-13(11)9-12/h5,7,9,15H,3-4,6,8,10H2,1-2H3,(H,16,17)
InChIKeyPDZGACIYKWKGFJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.35
Rot. Bonds7

About 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114939923) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID114939923
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOC(COc1ccc2c(c1)NC(=O)CC2)OCC
InChIInChI=1S/C15H21NO4/c1-3-18-15(19-4-2)10-20-12-7-5-11-6-8-14(17)16-13(11)9-12/h5,7,9,15H,3-4,6,8,10H2,1-2H3,(H,16,17)
InChIKeyPDZGACIYKWKGFJ-UHFFFAOYSA-N
XLogP2.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 114939923) is 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is CCOC(COc1ccc2c(c1)NC(=O)CC2)OCC.
What is the InChIKey of 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PDZGACIYKWKGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-18-15(19-4-2)10-20-12-7-5-11-6-8-14(17)16-13(11)9-12/h5,7,9,15H,3-4,6,8,10H2,1-2H3,(H,16,17).
What are the key properties of 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114939923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).