3-benzyl-1-butyl-4-hydroxyquinolin-2-one

C20H21NO2 — CID 54690075

IUPAC3-benzyl-1-butyl-4-hydroxyquinolin-2-one
SMILESCCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C20H21NO2/c1-2-3-13-21-18-12-8-7-11-16(18)19(22)17(20(21)23)14-15-9-5-4-6-10-15/h4-12,22H,2-3,13-14H2,1H3
InChIKeyVIUNESMLZNZSGV-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.10
Rot. Bonds5

About 3-benzyl-1-butyl-4-hydroxyquinolin-2-one

3-benzyl-1-butyl-4-hydroxyquinolin-2-one (PubChem CID 54690075) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-benzyl-1-butyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name3-benzyl-1-butyl-4-hydroxyquinolin-2-one
PubChem CID54690075
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name3-benzyl-1-butyl-4-hydroxyquinolin-2-one
SMILESCCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C20H21NO2/c1-2-3-13-21-18-12-8-7-11-16(18)19(22)17(20(21)23)14-15-9-5-4-6-10-15/h4-12,22H,2-3,13-14H2,1H3
InChIKeyVIUNESMLZNZSGV-UHFFFAOYSA-N
XLogP4.10
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-butyl-4-hydroxyquinolin-2-one?
The IUPAC name of 3-benzyl-1-butyl-4-hydroxyquinolin-2-one (CID 54690075) is 3-benzyl-1-butyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 3-benzyl-1-butyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 3-benzyl-1-butyl-4-hydroxyquinolin-2-one is CCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 3-benzyl-1-butyl-4-hydroxyquinolin-2-one?
The InChIKey is VIUNESMLZNZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-3-13-21-18-12-8-7-11-16(18)19(22)17(20(21)23)14-15-9-5-4-6-10-15/h4-12,22H,2-3,13-14H2,1H3.
What are the key properties of 3-benzyl-1-butyl-4-hydroxyquinolin-2-one?
3-benzyl-1-butyl-4-hydroxyquinolin-2-one has a molecular weight of 307.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-butyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54690075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).