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

Related Compounds

(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-4-methyl-N-quinolin-3-ylpentanamide
CID 44325806
2-amino-N-benzyl-2-quinoxalin-2-ylacetamide
CID 70692377
4-chloro-N-[3-(quinoxalin-2-yl)phenyl]butanamide
CID 46917073
5-chloro-2-ethenyl-N-quinolin-8-ylpentanamide
CID 176208117
2-Quinoxalinepropionamide
CID 292505
1-acetyl-N-methyl-N-(2-quinoxalinylmethyl)-3-piperidinecarboxamide
CID 72910340
9-(Quinoxalin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 95853396
2-methyl-3-quinoxalin-2-yl-N-(2-sulfanylethyl)propanamide
CID 177679522
N-[(3-Chloropyrazin-2-yl)(3-phenylquinoxalin-6-yl)methyl]cyclobutanecarboxamide
CID 53629051
11-Quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 67254376
N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide
CID 139900739

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).