ethane;3-hydroxy-1,2-dimethylquinolin-4-one

C13H17NO2 — CID 91289410

IUPACethane;3-hydroxy-1,2-dimethylquinolin-4-one
SMILESCC.Cc1c(O)c(=O)c2ccccc2n1C
InChIInChI=1S/C11H11NO2.C2H6/c1-7-10(13)11(14)8-5-3-4-6-9(8)12(7)2;1-2/h3-6,13H,1-2H3;1-2H3
InChIKeyQEZCISWXMCKDBE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.58
Rot. Bonds

About ethane;3-hydroxy-1,2-dimethylquinolin-4-one

ethane;3-hydroxy-1,2-dimethylquinolin-4-one (PubChem CID 91289410) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethane;3-hydroxy-1,2-dimethylquinolin-4-one.

Molecular Properties

Compound Nameethane;3-hydroxy-1,2-dimethylquinolin-4-one
PubChem CID91289410
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethane;3-hydroxy-1,2-dimethylquinolin-4-one
SMILESCC.Cc1c(O)c(=O)c2ccccc2n1C
InChIInChI=1S/C11H11NO2.C2H6/c1-7-10(13)11(14)8-5-3-4-6-9(8)12(7)2;1-2/h3-6,13H,1-2H3;1-2H3
InChIKeyQEZCISWXMCKDBE-UHFFFAOYSA-N
XLogP2.58
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-1,2-dimethylquinolin-4-one?
The IUPAC name of ethane;3-hydroxy-1,2-dimethylquinolin-4-one (CID 91289410) is ethane;3-hydroxy-1,2-dimethylquinolin-4-one.
What is the SMILES notation for ethane;3-hydroxy-1,2-dimethylquinolin-4-one?
The canonical SMILES for ethane;3-hydroxy-1,2-dimethylquinolin-4-one is CC.Cc1c(O)c(=O)c2ccccc2n1C.
What is the InChIKey of ethane;3-hydroxy-1,2-dimethylquinolin-4-one?
The InChIKey is QEZCISWXMCKDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C2H6/c1-7-10(13)11(14)8-5-3-4-6-9(8)12(7)2;1-2/h3-6,13H,1-2H3;1-2H3.
What are the key properties of ethane;3-hydroxy-1,2-dimethylquinolin-4-one?
ethane;3-hydroxy-1,2-dimethylquinolin-4-one has a molecular weight of 219.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-1,2-dimethylquinolin-4-one is sourced from PubChem (CID 91289410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).