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

C31H32ClN3O4 — CID 146051436

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

(E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride (PubChem CID 146051436) has the molecular formula C31H32ClN3O4 and a molecular weight of 546.07 g/mol. Its IUPAC name is (E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride.

Molecular Properties

• Compound Name: (E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride
• PubChem CID: 146051436
• Molecular Formula: C31H32ClN3O4
• Molecular Weight: 546.07 g/mol
• Exact Mass: 545.21
• IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride
• SMILES: COc1ccccc1Nc1c2c(nc3ccc(NC(=O)/C=C/c4cccc(OC)c4OC)cc13)CCCC2.Cl
• InChI: InChI=1S/C31H31N3O4.ClH/c1-36-27-13-7-6-12-26(27)34-30-22-10-4-5-11-24(22)33-25-17-16-21(19-23(25)30)32-29(35)18-15-20-9-8-14-28(37-2)31(20)38-3;/h6-9,12-19H,4-5,10-11H2,1-3H3,(H,32,35)(H,33,34);1H/b18-15+
• InChIKey: LWXPLRAEEQQPJO-FLNCGGNMSA-N
• XLogP: 6.96
• TPSA: 81.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.07
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride (CID 146051436) is (E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride.

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

The canonical SMILES for (E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride is COc1ccccc1Nc1c2c(nc3ccc(NC(=O)/C=C/c4cccc(OC)c4OC)cc13)CCCC2.Cl.

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

The InChIKey is LWXPLRAEEQQPJO-FLNCGGNMSA-N. The full InChI is InChI=1S/C31H31N3O4.ClH/c1-36-27-13-7-6-12-26(27)34-30-22-10-4-5-11-24(22)33-25-17-16-21(19-23(25)30)32-29(35)18-15-20-9-8-14-28(37-2)31(20)38-3;/h6-9,12-19H,4-5,10-11H2,1-3H3,(H,32,35)(H,33,34);1H/b18-15+;.

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

(E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride has a molecular weight of 546.07 g/mol, XLogP of 6.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 146051436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).