2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

C26H22N2O3S — CID 1176255

About 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 1176255) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
• PubChem CID: 1176255
• Molecular Formula: C26H22N2O3S
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.14
• IUPAC Name: 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
• SMILES: Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1-c1ccccc1)OCCO3
• InChI: InChI=1S/C26H22N2O3S/c1-17-13-19-14-23-24(31-12-11-30-23)15-22(19)28-26(17)32-16-25(29)27-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-10,13-15H,11-12,16H2,1H3,(H,27,29)
• InChIKey: JTASGQXXOFDQTE-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?

The IUPAC name of 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (CID 1176255) is 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.

What is the SMILES notation for 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?

The canonical SMILES for 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1-c1ccccc1)OCCO3.

What is the InChIKey of 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?

The InChIKey is JTASGQXXOFDQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-17-13-19-14-23-24(31-12-11-30-23)15-22(19)28-26(17)32-16-25(29)27-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-10,13-15H,11-12,16H2,1H3,(H,27,29).

What are the key properties of 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?

2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 1176255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).