N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C22H23N3O5S — CID 68901085

About N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 68901085) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
• PubChem CID: 68901085
• Molecular Formula: C22H23N3O5S
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.14
• IUPAC Name: N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
• SMILES: CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc2c(c1)OCCN2C
• InChI: InChI=1S/C22H23N3O5S/c1-14-5-4-6-16-11-17(22(27)23-21(14)16)13-25(15(2)26)31(28,29)18-7-8-19-20(12-18)30-10-9-24(19)3/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,27)
• InChIKey: SKNFKWJYUJCMAF-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 99.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?

The IUPAC name of N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 68901085) is N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

What is the SMILES notation for N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?

The canonical SMILES for N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is CC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc2c(c1)OCCN2C.

What is the InChIKey of N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?

The InChIKey is SKNFKWJYUJCMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-14-5-4-6-16-11-17(22(27)23-21(14)16)13-25(15(2)26)31(28,29)18-7-8-19-20(12-18)30-10-9-24(19)3/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,27).

What are the key properties of N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?

N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 68901085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).