3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one

C13H13Cl2NO2 — CID 54695683

IUPAC3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one
SMILESCCCCc1c(O)c2cc(Cl)cc(Cl)c2[nH]c1=O
InChIInChI=1S/C13H13Cl2NO2/c1-2-3-4-8-12(17)9-5-7(14)6-10(15)11(9)16-13(8)18/h5-6H,2-4H2,1H3,(H2,16,17,18)
InChIKeyJFTXSSZPYLNNOY-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.88
Rot. Bonds3

About 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one

3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one (PubChem CID 54695683) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one
PubChem CID54695683
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one
SMILESCCCCc1c(O)c2cc(Cl)cc(Cl)c2[nH]c1=O
InChIInChI=1S/C13H13Cl2NO2/c1-2-3-4-8-12(17)9-5-7(14)6-10(15)11(9)16-13(8)18/h5-6H,2-4H2,1H3,(H2,16,17,18)
InChIKeyJFTXSSZPYLNNOY-UHFFFAOYSA-N
XLogP3.88
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one (CID 54695683) is 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one is CCCCc1c(O)c2cc(Cl)cc(Cl)c2[nH]c1=O.
What is the InChIKey of 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is JFTXSSZPYLNNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c1-2-3-4-8-12(17)9-5-7(14)6-10(15)11(9)16-13(8)18/h5-6H,2-4H2,1H3,(H2,16,17,18).
What are the key properties of 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one?
3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 286.16 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54695683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).