1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one

C30H27NO2 — CID 90677372

IUPAC1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C(O)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H27NO2/c32-28-26-18-10-11-19-27(26)31(22-25-16-8-3-9-17-25)29(33)30(28,20-23-12-4-1-5-13-23)21-24-14-6-2-7-15-24/h1-19,28,32H,20-22H2
InChIKeySLPDEIDVDICTPH-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.74
Rot. Bonds6

About 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one

1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one (PubChem CID 90677372) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one.

Molecular Properties

Compound Name1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one
PubChem CID90677372
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC Name1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C(O)C1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H27NO2/c32-28-26-18-10-11-19-27(26)31(22-25-16-8-3-9-17-25)29(33)30(28,20-23-12-4-1-5-13-23)21-24-14-6-2-7-15-24/h1-19,28,32H,20-22H2
InChIKeySLPDEIDVDICTPH-UHFFFAOYSA-N
XLogP5.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one?
The IUPAC name of 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one (CID 90677372) is 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one.
What is the SMILES notation for 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one?
The canonical SMILES for 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one is O=C1N(Cc2ccccc2)c2ccccc2C(O)C1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one?
The InChIKey is SLPDEIDVDICTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2/c32-28-26-18-10-11-19-27(26)31(22-25-16-8-3-9-17-25)29(33)30(28,20-23-12-4-1-5-13-23)21-24-14-6-2-7-15-24/h1-19,28,32H,20-22H2.
What are the key properties of 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one?
1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one has a molecular weight of 433.55 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-tribenzyl-4-hydroxy-4H-quinolin-2-one is sourced from PubChem (CID 90677372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).