2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C11H15NO — CID 164582395

IUPAC2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1cc(=O)c2c([nH]1)CCCC2C
InChIInChI=1S/C11H15NO/c1-7-4-3-5-9-11(7)10(13)6-8(2)12-9/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRCUQLRRUBWHRQV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.12
Rot. Bonds

About 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 164582395) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID164582395
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1cc(=O)c2c([nH]1)CCCC2C
InChIInChI=1S/C11H15NO/c1-7-4-3-5-9-11(7)10(13)6-8(2)12-9/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRCUQLRRUBWHRQV-UHFFFAOYSA-N
XLogP2.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-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 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 164582395) is 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1cc(=O)c2c([nH]1)CCCC2C.
What is the InChIKey of 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is RCUQLRRUBWHRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-3-5-9-11(7)10(13)6-8(2)12-9/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 177.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 164582395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).