1-(2,2-diethoxyethyl)quinolin-4-one

C15H19NO3 — CID 63628929

IUPAC1-(2,2-diethoxyethyl)quinolin-4-one
SMILESCCOC(Cn1ccc(=O)c2ccccc21)OCC
InChIInChI=1S/C15H19NO3/c1-3-18-15(19-4-2)11-16-10-9-14(17)12-7-5-6-8-13(12)16/h5-10,15H,3-4,11H2,1-2H3
InChIKeyXBZGQVDSQACWFV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.40
Rot. Bonds6

About 1-(2,2-diethoxyethyl)quinolin-4-one

1-(2,2-diethoxyethyl)quinolin-4-one (PubChem CID 63628929) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)quinolin-4-one.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)quinolin-4-one
PubChem CID63628929
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(2,2-diethoxyethyl)quinolin-4-one
SMILESCCOC(Cn1ccc(=O)c2ccccc21)OCC
InChIInChI=1S/C15H19NO3/c1-3-18-15(19-4-2)11-16-10-9-14(17)12-7-5-6-8-13(12)16/h5-10,15H,3-4,11H2,1-2H3
InChIKeyXBZGQVDSQACWFV-UHFFFAOYSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
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 1-(2,2-diethoxyethyl)quinolin-4-one?
The IUPAC name of 1-(2,2-diethoxyethyl)quinolin-4-one (CID 63628929) is 1-(2,2-diethoxyethyl)quinolin-4-one.
What is the SMILES notation for 1-(2,2-diethoxyethyl)quinolin-4-one?
The canonical SMILES for 1-(2,2-diethoxyethyl)quinolin-4-one is CCOC(Cn1ccc(=O)c2ccccc21)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)quinolin-4-one?
The InChIKey is XBZGQVDSQACWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-18-15(19-4-2)11-16-10-9-14(17)12-7-5-6-8-13(12)16/h5-10,15H,3-4,11H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethyl)quinolin-4-one?
1-(2,2-diethoxyethyl)quinolin-4-one has a molecular weight of 261.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)quinolin-4-one is sourced from PubChem (CID 63628929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).