4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide

C22H17N3O2 — CID 1217750

IUPAC4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1
InChIInChI=1S/C22H17N3O2/c1-27-18-11-9-15(10-12-18)22(26)24-17-6-4-5-16(13-17)21-14-23-19-7-2-3-8-20(19)25-21/h2-14H,1H3,(H,24,26)
InChIKeyHUCDSDHJSZGPFK-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.56
Rot. Bonds4

About 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide

4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide (PubChem CID 1217750) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide
PubChem CID1217750
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1
InChIInChI=1S/C22H17N3O2/c1-27-18-11-9-15(10-12-18)22(26)24-17-6-4-5-16(13-17)21-14-23-19-7-2-3-8-20(19)25-21/h2-14H,1H3,(H,24,26)
InChIKeyHUCDSDHJSZGPFK-UHFFFAOYSA-N
XLogP4.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide?
The IUPAC name of 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide (CID 1217750) is 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide is COc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1.
What is the InChIKey of 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide?
The InChIKey is HUCDSDHJSZGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-18-11-9-15(10-12-18)22(26)24-17-6-4-5-16(13-17)21-14-23-19-7-2-3-8-20(19)25-21/h2-14H,1H3,(H,24,26).
What are the key properties of 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide?
4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide has a molecular weight of 355.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-quinoxalin-2-ylphenyl)benzamide is sourced from PubChem (CID 1217750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).