5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride

C25H23BrClN3O3 — CID 146051488

About 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride

5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 146051488) has the molecular formula C25H23BrClN3O3 and a molecular weight of 528.83 g/mol. Its IUPAC name is 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride
• PubChem CID: 146051488
• Molecular Formula: C25H23BrClN3O3
• Molecular Weight: 528.83 g/mol
• Exact Mass: 527.06
• IUPAC Name: 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride
• SMILES: COc1ccccc1Nc1c2c(nc3ccc(NC(=O)c4ccc(Br)o4)cc13)CCCC2.Cl
• InChI: InChI=1S/C25H22BrN3O3.ClH/c1-31-21-9-5-4-8-20(21)29-24-16-6-2-3-7-18(16)28-19-11-10-15(14-17(19)24)27-25(30)22-12-13-23(26)32-22;/h4-5,8-14H,2-3,6-7H2,1H3,(H,27,30)(H,28,29);1H
• InChIKey: MPMBZUOTOJIBLM-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 76.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.83
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride?

The IUPAC name of 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride (CID 146051488) is 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride?

The canonical SMILES for 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride is COc1ccccc1Nc1c2c(nc3ccc(NC(=O)c4ccc(Br)o4)cc13)CCCC2.Cl.

What is the InChIKey of 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride?

The InChIKey is MPMBZUOTOJIBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN3O3.ClH/c1-31-21-9-5-4-8-20(21)29-24-16-6-2-3-7-18(16)28-19-11-10-15(14-17(19)24)27-25(30)22-12-13-23(26)32-22;/h4-5,8-14H,2-3,6-7H2,1H3,(H,27,30)(H,28,29);1H.

What are the key properties of 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride?

5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 528.83 g/mol, XLogP of 6.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 146051488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).