5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one

C13H18N2O — CID 84623081

IUPAC5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)CNc2c1ccc(C)c2C
InChIInChI=1S/C13H18N2O/c1-4-7-15-11-6-5-9(2)10(3)13(11)14-8-12(15)16/h5-6,14H,4,7-8H2,1-3H3
InChIKeyWMCJNJVUBXWUOH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.47
Rot. Bonds2

About 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one

5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84623081) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one
PubChem CID84623081
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)CNc2c1ccc(C)c2C
InChIInChI=1S/C13H18N2O/c1-4-7-15-11-6-5-9(2)10(3)13(11)14-8-12(15)16/h5-6,14H,4,7-8H2,1-3H3
InChIKeyWMCJNJVUBXWUOH-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-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

Related Compounds

7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84624682
7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84632527
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 84635526
1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623085
1-butyl-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 83644029
4-butyl-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007007
6-[(3-fluoro-4-methylphenyl)methylsulfonylmethyl]-1-propyl-3,4-dihydroquinazolin-2-one
CID 159705458
3-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 103935480
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84631890

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one (CID 84623081) is 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one is CCCN1C(=O)CNc2c1ccc(C)c2C.
What is the InChIKey of 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is WMCJNJVUBXWUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-7-15-11-6-5-9(2)10(3)13(11)14-8-12(15)16/h5-6,14H,4,7-8H2,1-3H3.
What are the key properties of 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one?
5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84623081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).