N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide

C17H16ClN3O — CID 139900741

IUPACN-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide
SMILESO=C(Cc1cnc2ccccc2n1)NC1C2CC3C(C2Cl)C31
InChIInChI=1S/C17H16ClN3O/c18-16-10-6-9-14(16)15(9)17(10)21-13(22)5-8-7-19-11-3-1-2-4-12(11)20-8/h1-4,7,9-10,14-17H,5-6H2,(H,21,22)
InChIKeyIWJBGQPHTPSOAF-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.16
Rot. Bonds3

About N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide

N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide (PubChem CID 139900741) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide
PubChem CID139900741
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide
SMILESO=C(Cc1cnc2ccccc2n1)NC1C2CC3C(C2Cl)C31
InChIInChI=1S/C17H16ClN3O/c18-16-10-6-9-14(16)15(9)17(10)21-13(22)5-8-7-19-11-3-1-2-4-12(11)20-8/h1-4,7,9-10,14-17H,5-6H2,(H,21,22)
InChIKeyIWJBGQPHTPSOAF-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide?
The IUPAC name of N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide (CID 139900741) is N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide.
What is the SMILES notation for N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide?
The canonical SMILES for N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide is O=C(Cc1cnc2ccccc2n1)NC1C2CC3C(C2Cl)C31.
What is the InChIKey of N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide?
The InChIKey is IWJBGQPHTPSOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-16-10-6-9-14(16)15(9)17(10)21-13(22)5-8-7-19-11-3-1-2-4-12(11)20-8/h1-4,7,9-10,14-17H,5-6H2,(H,21,22).
What are the key properties of N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide?
N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide has a molecular weight of 313.79 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-tricyclo[2.2.1.02,6]heptanyl)-2-quinoxalin-2-ylacetamide is sourced from PubChem (CID 139900741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).