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

C23H21NO2 — CID 90677361

IUPAC3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C(O)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21NO2/c25-21-19-13-7-8-14-20(19)24-22(26)23(21,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,21,25H,15-16H2,(H,24,26)
InChIKeyIKGCNYQNFJATMF-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.14
Rot. Bonds4

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

3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one (PubChem CID 90677361) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one
PubChem CID90677361
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C(O)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21NO2/c25-21-19-13-7-8-14-20(19)24-22(26)23(21,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,21,25H,15-16H2,(H,24,26)
InChIKeyIKGCNYQNFJATMF-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.14
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-1,4-dihydroquinolin-2-one?
The IUPAC name of 3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one (CID 90677361) is 3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one?
The canonical SMILES for 3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one is O=C1Nc2ccccc2C(O)C1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one?
The InChIKey is IKGCNYQNFJATMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-21-19-13-7-8-14-20(19)24-22(26)23(21,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,21,25H,15-16H2,(H,24,26).
What are the key properties of 3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one?
3,3-dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one has a molecular weight of 343.43 g/mol, XLogP of 4.14, 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-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 90677361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).