2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide

C28H26ClN3O3 — CID 46257075

About 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide

2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide (PubChem CID 46257075) has the molecular formula C28H26ClN3O3 and a molecular weight of 487.99 g/mol. Its IUPAC name is 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide
• PubChem CID: 46257075
• Molecular Formula: C28H26ClN3O3
• Molecular Weight: 487.99 g/mol
• Exact Mass: 487.17
• IUPAC Name: 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide
• SMILES: COc1ccc(Nc2c3c(nc4ccc(NC(=O)c5ccccc5Cl)cc24)CCCC3)cc1OC
• InChI: InChI=1S/C28H26ClN3O3/c1-34-25-14-12-18(16-26(25)35-2)30-27-20-8-4-6-10-23(20)32-24-13-11-17(15-21(24)27)31-28(33)19-7-3-5-9-22(19)29/h3,5,7,9,11-16H,4,6,8,10H2,1-2H3,(H,30,32)(H,31,33)
• InChIKey: YQTFGBNNSDVSOL-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 72.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.99
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide?

The IUPAC name of 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide (CID 46257075) is 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide?

The canonical SMILES for 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide is COc1ccc(Nc2c3c(nc4ccc(NC(=O)c5ccccc5Cl)cc24)CCCC3)cc1OC.

What is the InChIKey of 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide?

The InChIKey is YQTFGBNNSDVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O3/c1-34-25-14-12-18(16-26(25)35-2)30-27-20-8-4-6-10-23(20)32-24-13-11-17(15-21(24)27)31-28(33)19-7-3-5-9-22(19)29/h3,5,7,9,11-16H,4,6,8,10H2,1-2H3,(H,30,32)(H,31,33).

What are the key properties of 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide?

2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide has a molecular weight of 487.99 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide is sourced from PubChem (CID 46257075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).