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

C17H20N2O4 — CID 110326153

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

2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide (PubChem CID 110326153) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
• PubChem CID: 110326153
• Molecular Formula: C17H20N2O4
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.14
• IUPAC Name: 2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
• SMILES: CC(C)C(=O)NCCc1cc2cc3c(cc2[nH]c1=O)OCCO3
• InChI: InChI=1S/C17H20N2O4/c1-10(2)16(20)18-4-3-11-7-12-8-14-15(23-6-5-22-14)9-13(12)19-17(11)21/h7-10H,3-6H2,1-2H3,(H,18,20)(H,19,21)
• InChIKey: NHWUXIKRVLSJCZ-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 80.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide (CID 110326153) is 2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide.

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

The canonical SMILES for 2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide is CC(C)C(=O)NCCc1cc2cc3c(cc2[nH]c1=O)OCCO3.

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

The InChIKey is NHWUXIKRVLSJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10(2)16(20)18-4-3-11-7-12-8-14-15(23-6-5-22-14)9-13(12)19-17(11)21/h7-10H,3-6H2,1-2H3,(H,18,20)(H,19,21).

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

2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide has a molecular weight of 316.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide is sourced from PubChem (CID 110326153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).