2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

C28H28N4O3 — CID 142873910

About 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (PubChem CID 142873910) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.

Molecular Properties

• Compound Name: 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
• PubChem CID: 142873910
• Molecular Formula: C28H28N4O3
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.22
• IUPAC Name: 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
• SMILES: COc1ccc2nc(N3CCN(/C=C/C4COc5ccc6nc(C)ccc6c5O4)CC3)ccc2c1
• InChI: InChI=1S/C28H28N4O3/c1-19-3-6-23-25(29-19)8-9-26-28(23)35-22(18-34-26)11-12-31-13-15-32(16-14-31)27-10-4-20-17-21(33-2)5-7-24(20)30-27/h3-12,17,22H,13-16,18H2,1-2H3/b12-11+
• InChIKey: OAPKRKPJQYVGFA-VAWYXSNFSA-N
• XLogP: 4.58
• TPSA: 59.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?

The IUPAC name of 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (CID 142873910) is 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.

What is the SMILES notation for 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?

The canonical SMILES for 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is COc1ccc2nc(N3CCN(/C=C/C4COc5ccc6nc(C)ccc6c5O4)CC3)ccc2c1.

What is the InChIKey of 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?

The InChIKey is OAPKRKPJQYVGFA-VAWYXSNFSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-19-3-6-23-25(29-19)8-9-26-28(23)35-22(18-34-26)11-12-31-13-15-32(16-14-31)27-10-4-20-17-21(33-2)5-7-24(20)30-27/h3-12,17,22H,13-16,18H2,1-2H3/b12-11+.

What are the key properties of 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?

2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline has a molecular weight of 468.56 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-[4-(6-methoxyquinolin-2-yl)piperazin-1-yl]ethenyl]-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is sourced from PubChem (CID 142873910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).