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

C21H17N3O2 — CID 2108280

IUPAC2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide
SMILESCc1nc2ccccc2nc1OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H17N3O2/c1-14-21(24-19-9-5-4-8-18(19)22-14)26-13-20(25)23-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,23,25)
InChIKeyPENLYMXMVSJXMZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.11
Rot. Bonds4

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

2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide (PubChem CID 2108280) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide
PubChem CID2108280
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide
SMILESCc1nc2ccccc2nc1OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H17N3O2/c1-14-21(24-19-9-5-4-8-18(19)22-14)26-13-20(25)23-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,23,25)
InChIKeyPENLYMXMVSJXMZ-UHFFFAOYSA-N
XLogP4.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.11
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-naphthalen-2-ylacetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide (CID 2108280) is 2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide is Cc1nc2ccccc2nc1OCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide?
The InChIKey is PENLYMXMVSJXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-21(24-19-9-5-4-8-18(19)22-14)26-13-20(25)23-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide?
2-(3-methylquinoxalin-2-yl)oxy-N-naphthalen-2-ylacetamide has a molecular weight of 343.39 g/mol, XLogP of 4.11, 4 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 2108280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).