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

C22H19N3O3S — CID 7154246

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

N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide (PubChem CID 7154246) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide
• PubChem CID: 7154246
• Molecular Formula: C22H19N3O3S
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.11
• IUPAC Name: N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide
• SMILES: CCn1/c(=N/C(=O)c2ccc3nc(C)ccc3c2)sc2cc3c(cc21)OCCO3
• InChI: InChI=1S/C22H19N3O3S/c1-3-25-17-11-18-19(28-9-8-27-18)12-20(17)29-22(25)24-21(26)15-6-7-16-14(10-15)5-4-13(2)23-16/h4-7,10-12H,3,8-9H2,1-2H3/b24-22-
• InChIKey: RWWNJXWWPDUNMI-GYHWCHFESA-N
• XLogP: 4.09
• TPSA: 65.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-2-methylquinoline-6-carboxamide?

The IUPAC name of N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide (CID 7154246) is N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-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)-2-methylquinoline-6-carboxamide?

The canonical SMILES for N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide is CCn1/c(=N/C(=O)c2ccc3nc(C)ccc3c2)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)-2-methylquinoline-6-carboxamide?

The InChIKey is RWWNJXWWPDUNMI-GYHWCHFESA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-3-25-17-11-18-19(28-9-8-27-18)12-20(17)29-22(25)24-21(26)15-6-7-16-14(10-15)5-4-13(2)23-16/h4-7,10-12H,3,8-9H2,1-2H3/b24-22-.

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

N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methylquinoline-6-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 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)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 7154246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).