N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide

C20H16N4O3S — CID 43978985

About N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide

N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide (PubChem CID 43978985) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide
• PubChem CID: 43978985
• Molecular Formula: C20H16N4O3S
• Molecular Weight: 392.44 g/mol
• Exact Mass: 392.09
• IUPAC Name: N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide
• SMILES: CCn1/c(=N/C(=O)c2ccc3nccnc3c2)sc2cc3c(cc21)OCCO3
• InChI: InChI=1S/C20H16N4O3S/c1-2-24-15-10-16-17(27-8-7-26-16)11-18(15)28-20(24)23-19(25)12-3-4-13-14(9-12)22-6-5-21-13/h3-6,9-11H,2,7-8H2,1H3/b23-20-
• InChIKey: NXCHWECPIZGQIA-ATJXCDBQSA-N
• XLogP: 3.18
• TPSA: 78.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.44
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide?

The IUPAC name of N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide (CID 43978985) is N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide.

What is the SMILES notation for N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide?

The canonical SMILES for N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide is CCn1/c(=N/C(=O)c2ccc3nccnc3c2)sc2cc3c(cc21)OCCO3.

What is the InChIKey of N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide?

The InChIKey is NXCHWECPIZGQIA-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-2-24-15-10-16-17(27-8-7-26-16)11-18(15)28-20(24)23-19(25)12-3-4-13-14(9-12)22-6-5-21-13/h3-6,9-11H,2,7-8H2,1H3/b23-20-.

What are the key properties of N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide?

N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide is sourced from PubChem (CID 43978985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).