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

C23H24N2O5 — CID 1467368

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

N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide (PubChem CID 1467368) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide
• PubChem CID: 1467368
• Molecular Formula: C23H24N2O5
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.17
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide
• SMILES: CCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
• InChI: InChI=1S/C23H24N2O5/c1-3-22(26)25(13-15-4-6-18(28-2)7-5-15)14-17-10-16-11-20-21(30-9-8-29-20)12-19(16)24-23(17)27/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,24,27)
• InChIKey: ZEDHMBJEVIWMTO-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 80.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide (CID 1467368) is N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide.

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

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

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

The InChIKey is ZEDHMBJEVIWMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-22(26)25(13-15-4-6-18(28-2)7-5-15)14-17-10-16-11-20-21(30-9-8-29-20)12-19(16)24-23(17)27/h4-7,10-12H,3,8-9,13-14H2,1-2H3,(H,24,27).

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

N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide has a molecular weight of 408.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]propanamide is sourced from PubChem (CID 1467368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).