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

C22H22N2O5 — CID 1467371

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

N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide (PubChem CID 1467371) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide
• PubChem CID: 1467371
• Molecular Formula: C22H22N2O5
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.15
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide
• SMILES: COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(C)=O
• InChI: InChI=1S/C22H22N2O5/c1-14(25)24(12-15-5-3-4-6-19(15)27-2)13-17-9-16-10-20-21(29-8-7-28-20)11-18(16)23-22(17)26/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,23,26)
• InChIKey: BZGOFNRGNHBUEH-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 80.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide (CID 1467371) is N-[(2-methoxyphenyl)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-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide is COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(C)=O.

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

The InChIKey is BZGOFNRGNHBUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14(25)24(12-15-5-3-4-6-19(15)27-2)13-17-9-16-10-20-21(29-8-7-28-20)11-18(16)23-22(17)26/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,23,26).

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

N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide is sourced from PubChem (CID 1467371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).