2-chloro-N-quinoxalin-6-ylpropanamide

C11H10ClN3O — CID 60933766

IUPAC2-chloro-N-quinoxalin-6-ylpropanamide
SMILESCC(Cl)C(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C11H10ClN3O/c1-7(12)11(16)15-8-2-3-9-10(6-8)14-5-4-13-9/h2-7H,1H3,(H,15,16)
InChIKeyLEOWZUUBAIZNIE-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.20
Rot. Bonds2

About 2-chloro-N-quinoxalin-6-ylpropanamide

2-chloro-N-quinoxalin-6-ylpropanamide (PubChem CID 60933766) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-N-quinoxalin-6-ylpropanamide.

Molecular Properties

Compound Name2-chloro-N-quinoxalin-6-ylpropanamide
PubChem CID60933766
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-chloro-N-quinoxalin-6-ylpropanamide
SMILESCC(Cl)C(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C11H10ClN3O/c1-7(12)11(16)15-8-2-3-9-10(6-8)14-5-4-13-9/h2-7H,1H3,(H,15,16)
InChIKeyLEOWZUUBAIZNIE-UHFFFAOYSA-N
XLogP2.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010
2-(quinoxalin-6-ylcarbamoylamino)propanoic acid
CID 4974593
N'-methyl-N'-propan-2-yl-N-quinoxalin-6-yloxamide
CID 99716975
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
5-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 82011452
(2R)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinoxalin-6-ylpropanamide
CID 98123597
3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 47254889
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
2-(2-methylphenyl)-N-quinoxalin-6-ylacetamide
CID 110723730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-quinoxalin-6-ylpropanamide?
The IUPAC name of 2-chloro-N-quinoxalin-6-ylpropanamide (CID 60933766) is 2-chloro-N-quinoxalin-6-ylpropanamide.
What is the SMILES notation for 2-chloro-N-quinoxalin-6-ylpropanamide?
The canonical SMILES for 2-chloro-N-quinoxalin-6-ylpropanamide is CC(Cl)C(=O)Nc1ccc2nccnc2c1.
What is the InChIKey of 2-chloro-N-quinoxalin-6-ylpropanamide?
The InChIKey is LEOWZUUBAIZNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7(12)11(16)15-8-2-3-9-10(6-8)14-5-4-13-9/h2-7H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-quinoxalin-6-ylpropanamide?
2-chloro-N-quinoxalin-6-ylpropanamide has a molecular weight of 235.67 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-quinoxalin-6-ylpropanamide is sourced from PubChem (CID 60933766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).