1-butyl-4-hydroxyquinolin-2-one

C13H15NO2 — CID 54676155

IUPAC1-butyl-4-hydroxyquinolin-2-one
SMILESCCCCn1c(=O)cc(O)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7,9,15H,2-3,8H2,1H3
InChIKeyYHNLJAIQFUBFPF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.51
Rot. Bonds3

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

1-butyl-4-hydroxyquinolin-2-one (PubChem CID 54676155) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-butyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name1-butyl-4-hydroxyquinolin-2-one
PubChem CID54676155
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-butyl-4-hydroxyquinolin-2-one
SMILESCCCCn1c(=O)cc(O)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7,9,15H,2-3,8H2,1H3
InChIKeyYHNLJAIQFUBFPF-UHFFFAOYSA-N
XLogP2.51
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxyquinolin-2-one?
The IUPAC name of 1-butyl-4-hydroxyquinolin-2-one (CID 54676155) is 1-butyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 1-butyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 1-butyl-4-hydroxyquinolin-2-one is CCCCn1c(=O)cc(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxyquinolin-2-one?
The InChIKey is YHNLJAIQFUBFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7,9,15H,2-3,8H2,1H3.
What are the key properties of 1-butyl-4-hydroxyquinolin-2-one?
1-butyl-4-hydroxyquinolin-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54676155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).