3-butyl-4-hydroxy-1H-quinolin-2-one

C13H15NO2 — CID 54684097

IUPAC3-butyl-4-hydroxy-1H-quinolin-2-one
SMILESCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H15NO2/c1-2-3-6-10-12(15)9-7-4-5-8-11(9)14-13(10)16/h4-5,7-8H,2-3,6H2,1H3,(H2,14,15,16)
InChIKeyICDTXYOXZYXZKA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.58
Rot. Bonds3

About 3-butyl-4-hydroxy-1H-quinolin-2-one

3-butyl-4-hydroxy-1H-quinolin-2-one (PubChem CID 54684097) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-1H-quinolin-2-one
PubChem CID54684097
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-butyl-4-hydroxy-1H-quinolin-2-one
SMILESCCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H15NO2/c1-2-3-6-10-12(15)9-7-4-5-8-11(9)14-13(10)16/h4-5,7-8H,2-3,6H2,1H3,(H2,14,15,16)
InChIKeyICDTXYOXZYXZKA-UHFFFAOYSA-N
XLogP2.58
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-butyl-4-hydroxy-1H-quinolin-2-one (CID 54684097) is 3-butyl-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-1H-quinolin-2-one is CCCCc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-butyl-4-hydroxy-1H-quinolin-2-one?
The InChIKey is ICDTXYOXZYXZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-6-10-12(15)9-7-4-5-8-11(9)14-13(10)16/h4-5,7-8H,2-3,6H2,1H3,(H2,14,15,16).
What are the key properties of 3-butyl-4-hydroxy-1H-quinolin-2-one?
3-butyl-4-hydroxy-1H-quinolin-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54684097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).