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

C24H25N3O4S — CID 1171997

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

2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1171997) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
• PubChem CID: 1171997
• Molecular Formula: C24H25N3O4S
• Molecular Weight: 451.55 g/mol
• Exact Mass: 451.16
• IUPAC Name: 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
• SMILES: Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1N1CCOCC1)OCCO3
• InChI: InChI=1S/C24H25N3O4S/c1-16-12-17-13-21-22(31-11-10-30-21)14-19(17)26-24(16)32-15-23(28)25-18-4-2-3-5-20(18)27-6-8-29-9-7-27/h2-5,12-14H,6-11,15H2,1H3,(H,25,28)
• InChIKey: GOLGXRBVYVXTBV-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.55
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 1171997) is 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)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-morpholin-4-ylphenyl)acetamide?

The canonical SMILES for 2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1N1CCOCC1)OCCO3.

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

The InChIKey is GOLGXRBVYVXTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-16-12-17-13-21-22(31-11-10-30-21)14-19(17)26-24(16)32-15-23(28)25-18-4-2-3-5-20(18)27-6-8-29-9-7-27/h2-5,12-14H,6-11,15H2,1H3,(H,25,28).

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

2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 451.55 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1171997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).