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

C22H22N2O4 — CID 110331375

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

N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide (PubChem CID 110331375) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide.

Molecular Properties

• Compound Name: N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
• PubChem CID: 110331375
• Molecular Formula: C22H22N2O4
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.16
• IUPAC Name: N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
• SMILES: Cc1ccccc1CNC(=O)CCc1cc2cc3c(cc2[nH]c1=O)OCCO3
• InChI: InChI=1S/C22H22N2O4/c1-14-4-2-3-5-16(14)13-23-21(25)7-6-15-10-17-11-19-20(28-9-8-27-19)12-18(17)24-22(15)26/h2-5,10-12H,6-9,13H2,1H3,(H,23,25)(H,24,26)
• InChIKey: XOGVRGFRAQWQJC-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 80.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide (CID 110331375) is N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide.

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

The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide is Cc1ccccc1CNC(=O)CCc1cc2cc3c(cc2[nH]c1=O)OCCO3.

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

The InChIKey is XOGVRGFRAQWQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-4-2-3-5-16(14)13-23-21(25)7-6-15-10-17-11-19-20(28-9-8-27-19)12-18(17)24-22(15)26/h2-5,10-12H,6-9,13H2,1H3,(H,23,25)(H,24,26).

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

N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide is sourced from PubChem (CID 110331375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).