5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one

C11H13NO3 — CID 134115337

IUPAC5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2c(O)cc(O)cc2N1C
InChIInChI=1S/C11H13NO3/c1-6-3-9(14)11-8(12(6)2)4-7(13)5-10(11)15/h4-6,13,15H,3H2,1-2H3
InChIKeyDBCFPXKOFBIJMB-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.51
Rot. Bonds

About 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one

5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one (PubChem CID 134115337) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one
PubChem CID134115337
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2c(O)cc(O)cc2N1C
InChIInChI=1S/C11H13NO3/c1-6-3-9(14)11-8(12(6)2)4-7(13)5-10(11)15/h4-6,13,15H,3H2,1-2H3
InChIKeyDBCFPXKOFBIJMB-UHFFFAOYSA-N
XLogP1.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one (CID 134115337) is 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one is CC1CC(=O)c2c(O)cc(O)cc2N1C.
What is the InChIKey of 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one?
The InChIKey is DBCFPXKOFBIJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-3-9(14)11-8(12(6)2)4-7(13)5-10(11)15/h4-6,13,15H,3H2,1-2H3.
What are the key properties of 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one?
5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one has a molecular weight of 207.23 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-1,2-dimethyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 134115337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).