2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide

C18H19N3OS — CID 22588071

IUPAC2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3cccs3)cc2nc1CC
InChIInChI=1S/C18H19N3OS/c1-3-14-15(4-2)21-17-10-12(7-8-16(17)20-14)18(22)19-11-13-6-5-9-23-13/h5-10H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyILAHAELOLHHXDC-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.75
Rot. Bonds5

About 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide

2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide (PubChem CID 22588071) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
PubChem CID22588071
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3cccs3)cc2nc1CC
InChIInChI=1S/C18H19N3OS/c1-3-14-15(4-2)21-17-10-12(7-8-16(17)20-14)18(22)19-11-13-6-5-9-23-13/h5-10H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyILAHAELOLHHXDC-UHFFFAOYSA-N
XLogP3.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,3-triethylquinoxaline-6-carboxamide
CID 22588073
2,3-diethyl-N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2302300
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
CID 22588087
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide (CID 22588071) is 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)NCc3cccs3)cc2nc1CC.
What is the InChIKey of 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
The InChIKey is ILAHAELOLHHXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-14-15(4-2)21-17-10-12(7-8-16(17)20-14)18(22)19-11-13-6-5-9-23-13/h5-10H,3-4,11H2,1-2H3,(H,19,22).
What are the key properties of 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide?
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 22588071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).