2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium

C21H21N4OS2+ — CID 3713317

IUPAC2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C21H20N4OS2/c1-25(2)10-9-22-21(26)14-7-8-15-16(13-14)24-20(18-6-4-12-28-18)19(23-15)17-5-3-11-27-17/h3-8,11-13H,9-10H2,1-2H3,(H,22,26)/p+1
InChIKeyZWVRXKNDEUZTTG-UHFFFAOYSA-O
MW409.56 g/mol
LogP2.96
Rot. Bonds6

About 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium

2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium (PubChem CID 3713317) has the molecular formula C21H21N4OS2+ and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium
PubChem CID3713317
Molecular FormulaC21H21N4OS2+
Molecular Weight409.56 g/mol
Exact Mass409.12
IUPAC Name2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C21H20N4OS2/c1-25(2)10-9-22-21(26)14-7-8-15-16(13-14)24-20(18-6-4-12-28-18)19(23-15)17-5-3-11-27-17/h3-8,11-13H,9-10H2,1-2H3,(H,22,26)/p+1
InChIKeyZWVRXKNDEUZTTG-UHFFFAOYSA-O
XLogP2.96
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium with MolForge

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Related Compounds

N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 142989785
N-[2-[4-[5-[6-(butylcarbamoyl)-3-thiophen-2-ylquinoxalin-2-yl]thiophen-2-yl]phenyl]ethyl]-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 177047252
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 1329977
N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 2300708
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
2,3-dimethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]quinoxaline-6-carboxamide
CID 108573350
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
CID 18531817
3-[1-[(Z)-but-1-enyl]sulfanylethenyl]-N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoxaline-6-carboxamide
CID 142989803
2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7250102
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium (CID 3713317) is 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1.
What is the InChIKey of 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium?
The InChIKey is ZWVRXKNDEUZTTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H20N4OS2/c1-25(2)10-9-22-21(26)14-7-8-15-16(13-14)24-20(18-6-4-12-28-18)19(23-15)17-5-3-11-27-17/h3-8,11-13H,9-10H2,1-2H3,(H,22,26)/p+1.
What are the key properties of 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium?
2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium has a molecular weight of 409.56 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dithiophen-2-ylquinoxaline-6-carbonyl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 3713317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).