2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide

C15H22ClN3O — CID 83512035

IUPAC2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CC(C)Nc2cc(Cl)ccc21
InChIInChI=1S/C15H22ClN3O/c1-10(2)7-17-15(20)9-19-8-11(3)18-13-6-12(16)4-5-14(13)19/h4-6,10-11,18H,7-9H2,1-3H3,(H,17,20)
InChIKeyZPIDPAUAQNJZLO-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.73
Rot. Bonds4

About 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide

2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 83512035) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID83512035
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CC(C)Nc2cc(Cl)ccc21
InChIInChI=1S/C15H22ClN3O/c1-10(2)7-17-15(20)9-19-8-11(3)18-13-6-12(16)4-5-14(13)19/h4-6,10-11,18H,7-9H2,1-3H3,(H,17,20)
InChIKeyZPIDPAUAQNJZLO-UHFFFAOYSA-N
XLogP2.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide 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-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide (CID 83512035) is 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CC(C)Nc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is ZPIDPAUAQNJZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10(2)7-17-15(20)9-19-8-11(3)18-13-6-12(16)4-5-14(13)19/h4-6,10-11,18H,7-9H2,1-3H3,(H,17,20).
What are the key properties of 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide?
2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 83512035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).