N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide

C21H19ClN2O4 — CID 1467358

About N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide

N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide (PubChem CID 1467358) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide
• PubChem CID: 1467358
• Molecular Formula: C21H19ClN2O4
• Molecular Weight: 398.85 g/mol
• Exact Mass: 398.10
• IUPAC Name: N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide
• SMILES: CC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
• InChI: InChI=1S/C21H19ClN2O4/c1-13(25)24(11-14-2-4-17(22)5-3-14)12-16-8-15-9-19-20(28-7-6-27-19)10-18(15)23-21(16)26/h2-5,8-10H,6-7,11-12H2,1H3,(H,23,26)
• InChIKey: UWNKRYOQARKXIX-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 71.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.85
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide (CID 1467358) is N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide is CC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide?

The InChIKey is UWNKRYOQARKXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-13(25)24(11-14-2-4-17(22)5-3-14)12-16-8-15-9-19-20(28-7-6-27-19)10-18(15)23-21(16)26/h2-5,8-10H,6-7,11-12H2,1H3,(H,23,26).

What are the key properties of N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide?

N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide is sourced from PubChem (CID 1467358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).