(E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride

C30H30ClN3O2 — CID 146051501

About (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride

(E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride (PubChem CID 146051501) has the molecular formula C30H30ClN3O2 and a molecular weight of 500.04 g/mol. Its IUPAC name is (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride.

Molecular Properties

• Compound Name: (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride
• PubChem CID: 146051501
• Molecular Formula: C30H30ClN3O2
• Molecular Weight: 500.04 g/mol
• Exact Mass: 499.20
• IUPAC Name: (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride
• SMILES: COc1ccccc1Nc1c2c(nc3ccc(NC(=O)/C=C/c4ccc(C)cc4)cc13)CCCC2.Cl
• InChI: InChI=1S/C30H29N3O2.ClH/c1-20-11-13-21(14-12-20)15-18-29(34)31-22-16-17-26-24(19-22)30(23-7-3-4-8-25(23)32-26)33-27-9-5-6-10-28(27)35-2;/h5-6,9-19H,3-4,7-8H2,1-2H3,(H,31,34)(H,32,33);1H/b18-15+
• InChIKey: MQKBOUAESCYYCY-FLNCGGNMSA-N
• XLogP: 7.25
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.04
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride?

The IUPAC name of (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride (CID 146051501) is (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride.

What is the SMILES notation for (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride?

The canonical SMILES for (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride is COc1ccccc1Nc1c2c(nc3ccc(NC(=O)/C=C/c4ccc(C)cc4)cc13)CCCC2.Cl.

What is the InChIKey of (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride?

The InChIKey is MQKBOUAESCYYCY-FLNCGGNMSA-N. The full InChI is InChI=1S/C30H29N3O2.ClH/c1-20-11-13-21(14-12-20)15-18-29(34)31-22-16-17-26-24(19-22)30(23-7-3-4-8-25(23)32-26)33-27-9-5-6-10-28(27)35-2;/h5-6,9-19H,3-4,7-8H2,1-2H3,(H,31,34)(H,32,33);1H/b18-15+;.

What are the key properties of (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride?

(E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride has a molecular weight of 500.04 g/mol, XLogP of 7.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride is sourced from PubChem (CID 146051501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).