N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide

C16H17Cl2N3O — CID 165352133

IUPACN-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide
SMILESCC(Cc1cnc2ccccc2n1)C(=O)NC1CC(Cl)(Cl)C1
InChIInChI=1S/C16H17Cl2N3O/c1-10(15(22)21-12-7-16(17,18)8-12)6-11-9-19-13-4-2-3-5-14(13)20-11/h2-5,9-10,12H,6-8H2,1H3,(H,21,22)
InChIKeyWWBAUDJRZMADAL-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.26
Rot. Bonds4

About N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide

N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide (PubChem CID 165352133) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide
PubChem CID165352133
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide
SMILESCC(Cc1cnc2ccccc2n1)C(=O)NC1CC(Cl)(Cl)C1
InChIInChI=1S/C16H17Cl2N3O/c1-10(15(22)21-12-7-16(17,18)8-12)6-11-9-19-13-4-2-3-5-14(13)20-11/h2-5,9-10,12H,6-8H2,1H3,(H,21,22)
InChIKeyWWBAUDJRZMADAL-UHFFFAOYSA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide 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 N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide?
The IUPAC name of N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide (CID 165352133) is N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide.
What is the SMILES notation for N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide?
The canonical SMILES for N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide is CC(Cc1cnc2ccccc2n1)C(=O)NC1CC(Cl)(Cl)C1.
What is the InChIKey of N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide?
The InChIKey is WWBAUDJRZMADAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-10(15(22)21-12-7-16(17,18)8-12)6-11-9-19-13-4-2-3-5-14(13)20-11/h2-5,9-10,12H,6-8H2,1H3,(H,21,22).
What are the key properties of N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide?
N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide has a molecular weight of 338.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide is sourced from PubChem (CID 165352133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).