1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride

C25H34ClN3O4 — CID 132952955

About 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride

1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 132952955) has the molecular formula C25H34ClN3O4 and a molecular weight of 476.02 g/mol. Its IUPAC name is 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
• PubChem CID: 132952955
• Molecular Formula: C25H34ClN3O4
• Molecular Weight: 476.02 g/mol
• Exact Mass: 475.22
• IUPAC Name: 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
• SMILES: CCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)CN1CCN(C(=O)c2ccco2)CC1.Cl
• InChI: InChI=1S/C25H33N3O4.ClH/c1-5-31-19-8-9-21-20(15-19)18(2)16-25(3,4)28(21)23(29)17-26-10-12-27(13-11-26)24(30)22-7-6-14-32-22;/h6-9,14-15,18H,5,10-13,16-17H2,1-4H3;1H
• InChIKey: XDUBZTZHPBXJMM-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 66.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.02
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?

The IUPAC name of 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 132952955) is 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride.

What is the SMILES notation for 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?

The canonical SMILES for 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride is CCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)CN1CCN(C(=O)c2ccco2)CC1.Cl.

What is the InChIKey of 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?

The InChIKey is XDUBZTZHPBXJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4.ClH/c1-5-31-19-8-9-21-20(15-19)18(2)16-25(3,4)28(21)23(29)17-26-10-12-27(13-11-26)24(30)22-7-6-14-32-22;/h6-9,14-15,18H,5,10-13,16-17H2,1-4H3;1H.

What are the key properties of 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?

1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 476.02 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 132952955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).