1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide

C17H23N3O2 — CID 46684618

IUPAC1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
SMILESCCCC(C)NC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC
InChIInChI=1S/C17H23N3O2/c1-5-7-11(3)18-16(21)13-8-9-15-14(10-13)19-12(4)17(22)20(15)6-2/h8-11H,5-7H2,1-4H3,(H,18,21)
InChIKeyCFJHLPWWDXCYJU-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds5

About 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide

1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide (PubChem CID 46684618) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
PubChem CID46684618
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
SMILESCCCC(C)NC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC
InChIInChI=1S/C17H23N3O2/c1-5-7-11(3)18-16(21)13-8-9-15-14(10-13)19-12(4)17(22)20(15)6-2/h8-11H,5-7H2,1-4H3,(H,18,21)
InChIKeyCFJHLPWWDXCYJU-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7581021
1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide
CID 41013801
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 53058290

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide (CID 46684618) is 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide is CCCC(C)NC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC.
What is the InChIKey of 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide?
The InChIKey is CFJHLPWWDXCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-7-11(3)18-16(21)13-8-9-15-14(10-13)19-12(4)17(22)20(15)6-2/h8-11H,5-7H2,1-4H3,(H,18,21).
What are the key properties of 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide?
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 46684618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).