5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one

C12H15NO2 — CID 23369635

IUPAC5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one
SMILESCc1ccc(O)c2c1NC(=O)C(C)(C)C2
InChIInChI=1S/C12H15NO2/c1-7-4-5-9(14)8-6-12(2,3)11(15)13-10(7)8/h4-5,14H,6H2,1-3H3,(H,13,15)
InChIKeyDZIAEVUPXPHBES-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.22
Rot. Bonds

About 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one

5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one (PubChem CID 23369635) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one
PubChem CID23369635
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one
SMILESCc1ccc(O)c2c1NC(=O)C(C)(C)C2
InChIInChI=1S/C12H15NO2/c1-7-4-5-9(14)8-6-12(2,3)11(15)13-10(7)8/h4-5,14H,6H2,1-3H3,(H,13,15)
InChIKeyDZIAEVUPXPHBES-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one?
The IUPAC name of 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one (CID 23369635) is 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one?
The canonical SMILES for 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one is Cc1ccc(O)c2c1NC(=O)C(C)(C)C2.
What is the InChIKey of 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one?
The InChIKey is DZIAEVUPXPHBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-5-9(14)8-6-12(2,3)11(15)13-10(7)8/h4-5,14H,6H2,1-3H3,(H,13,15).
What are the key properties of 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one?
5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,3,8-trimethyl-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 23369635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).