N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide

C21H21N3O2 — CID 2476996

IUPACN-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2nc1CC
InChIInChI=1S/C21H21N3O2/c1-4-17-18(5-2)24-20-12-15(9-10-19(20)23-17)21(26)22-16-8-6-7-14(11-16)13(3)25/h6-12H,4-5H2,1-3H3,(H,22,26)
InChIKeyXPMAPJRLDOEGLW-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.21
Rot. Bonds5

About N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide

N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 2476996) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide
PubChem CID2476996
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2nc1CC
InChIInChI=1S/C21H21N3O2/c1-4-17-18(5-2)24-20-12-15(9-10-19(20)23-17)21(26)22-16-8-6-7-14(11-16)13(3)25/h6-12H,4-5H2,1-3H3,(H,22,26)
InChIKeyXPMAPJRLDOEGLW-UHFFFAOYSA-N
XLogP4.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide (CID 2476996) is N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2nc1CC.
What is the InChIKey of N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide?
The InChIKey is XPMAPJRLDOEGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-4-17-18(5-2)24-20-12-15(9-10-19(20)23-17)21(26)22-16-8-6-7-14(11-16)13(3)25/h6-12H,4-5H2,1-3H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide?
N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 2476996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).