3-butyl-8-hydroxy-1H-quinolin-2-one

C13H15NO2 — CID 160626954

IUPAC3-butyl-8-hydroxy-1H-quinolin-2-one
SMILESCCCCc1cc2cccc(O)c2[nH]c1=O
InChIInChI=1S/C13H15NO2/c1-2-3-5-10-8-9-6-4-7-11(15)12(9)14-13(10)16/h4,6-8,15H,2-3,5H2,1H3,(H,14,16)
InChIKeyRHKUQSSCDSTIAL-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.58
Rot. Bonds3

About 3-butyl-8-hydroxy-1H-quinolin-2-one

3-butyl-8-hydroxy-1H-quinolin-2-one (PubChem CID 160626954) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-butyl-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butyl-8-hydroxy-1H-quinolin-2-one
PubChem CID160626954
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-butyl-8-hydroxy-1H-quinolin-2-one
SMILESCCCCc1cc2cccc(O)c2[nH]c1=O
InChIInChI=1S/C13H15NO2/c1-2-3-5-10-8-9-6-4-7-11(15)12(9)14-13(10)16/h4,6-8,15H,2-3,5H2,1H3,(H,14,16)
InChIKeyRHKUQSSCDSTIAL-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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Related Compounds

3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one
CID 84630854
8-hydroxy-3-iodo-1H-quinolin-2-one
CID 91200284
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2022966
8-chloro-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 12910805
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
3-(10-pentoxydecyl)-1H-quinolin-2-one
CID 139729721
5-hydroxy-3-propyl-1H-quinolin-2-one
CID 101272468
6-hydroxy-8-(4-hydroxy-2-pentylphenoxy)-3-pentyl-1H-quinolin-2-one
CID 129247294
3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one
CID 70399891

Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-butyl-8-hydroxy-1H-quinolin-2-one (CID 160626954) is 3-butyl-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-butyl-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-butyl-8-hydroxy-1H-quinolin-2-one is CCCCc1cc2cccc(O)c2[nH]c1=O.
What is the InChIKey of 3-butyl-8-hydroxy-1H-quinolin-2-one?
The InChIKey is RHKUQSSCDSTIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-5-10-8-9-6-4-7-11(15)12(9)14-13(10)16/h4,6-8,15H,2-3,5H2,1H3,(H,14,16).
What are the key properties of 3-butyl-8-hydroxy-1H-quinolin-2-one?
3-butyl-8-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-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 160626954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).