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

C24H23NO3 — CID 90677364

IUPAC3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)C(O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C24H23NO3/c1-28-19-12-13-21-20(14-19)22(26)24(23(27)25-21,15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14,22,26H,15-16H2,1H3,(H,25,27)
InChIKeyVJVSSKLYZXAWSB-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.15
Rot. Bonds5

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

3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one (PubChem CID 90677364) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one
PubChem CID90677364
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)C(O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2
InChIInChI=1S/C24H23NO3/c1-28-19-12-13-21-20(14-19)22(26)24(23(27)25-21,15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14,22,26H,15-16H2,1H3,(H,25,27)
InChIKeyVJVSSKLYZXAWSB-UHFFFAOYSA-N
XLogP4.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one?
The IUPAC name of 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one (CID 90677364) is 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one?
The canonical SMILES for 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one is COc1ccc2c(c1)C(O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2.
What is the InChIKey of 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one?
The InChIKey is VJVSSKLYZXAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-28-19-12-13-21-20(14-19)22(26)24(23(27)25-21,15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14,22,26H,15-16H2,1H3,(H,25,27).
What are the key properties of 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one?
3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one has a molecular weight of 373.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-4-hydroxy-6-methoxy-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 90677364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).