2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide

C16H21N3O2 — CID 2478150

IUPAC2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1nc2ccccc2nc1C
InChIInChI=1S/C16H21N3O2/c1-4-12(5-2)18-15(20)10-21-16-11(3)17-13-8-6-7-9-14(13)19-16/h6-9,12H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyPSPHUFCIXLWQDK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds6

About 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide

2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide (PubChem CID 2478150) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide
PubChem CID2478150
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1nc2ccccc2nc1C
InChIInChI=1S/C16H21N3O2/c1-4-12(5-2)18-15(20)10-21-16-11(3)17-13-8-6-7-9-14(13)19-16/h6-9,12H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyPSPHUFCIXLWQDK-UHFFFAOYSA-N
XLogP2.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide (CID 2478150) is 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1nc2ccccc2nc1C.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide?
The InChIKey is PSPHUFCIXLWQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-12(5-2)18-15(20)10-21-16-11(3)17-13-8-6-7-9-14(13)19-16/h6-9,12H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide?
2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide has a molecular weight of 287.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)oxy-N-pentan-3-ylacetamide is sourced from PubChem (CID 2478150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).