3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one

C24H23NO2 — CID 90677365

IUPAC3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one
SMILESCc1ccc2c(c1)C(O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C24H23NO2/c1-17-12-13-21-20(14-17)22(26)24(23(27)25-21,15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,22,26H,15-16H2,1H3,(H,25,27)
InChIKeyMHEIWXRPTRFLOS-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.45
Rot. Bonds4

About 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one

3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one (PubChem CID 90677365) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one
PubChem CID90677365
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one
SMILESCc1ccc2c(c1)C(O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C24H23NO2/c1-17-12-13-21-20(14-17)22(26)24(23(27)25-21,15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,22,26H,15-16H2,1H3,(H,25,27)
InChIKeyMHEIWXRPTRFLOS-UHFFFAOYSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one?
The IUPAC name of 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one (CID 90677365) is 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one?
The canonical SMILES for 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one is Cc1ccc2c(c1)C(O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2.
What is the InChIKey of 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one?
The InChIKey is MHEIWXRPTRFLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-17-12-13-21-20(14-17)22(26)24(23(27)25-21,15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,22,26H,15-16H2,1H3,(H,25,27).
What are the key properties of 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one?
3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one has a molecular weight of 357.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 90677365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).