3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one

C25H25NO2 — CID 90677371

IUPAC3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one
SMILESCCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)C(O)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-2-26-22-16-10-9-15-21(22)23(27)25(24(26)28,17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16,23,27H,2,17-18H2,1H3
InChIKeyMEHYSALUHLCLAH-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.56
Rot. Bonds5

About 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one

3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one (PubChem CID 90677371) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one.

Molecular Properties

Compound Name3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one
PubChem CID90677371
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one
SMILESCCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)C(O)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-2-26-22-16-10-9-15-21(22)23(27)25(24(26)28,17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16,23,27H,2,17-18H2,1H3
InChIKeyMEHYSALUHLCLAH-UHFFFAOYSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one?
The IUPAC name of 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one (CID 90677371) is 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one.
What is the SMILES notation for 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one?
The canonical SMILES for 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one is CCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)C(O)c2ccccc21.
What is the InChIKey of 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one?
The InChIKey is MEHYSALUHLCLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-2-26-22-16-10-9-15-21(22)23(27)25(24(26)28,17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16,23,27H,2,17-18H2,1H3.
What are the key properties of 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one?
3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one has a molecular weight of 371.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-1-ethyl-4-hydroxy-4H-quinolin-2-one is sourced from PubChem (CID 90677371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).