4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide

C27H27N3O3 — CID 60607188

About 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide

4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide (PubChem CID 60607188) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide
• PubChem CID: 60607188
• Molecular Formula: C27H27N3O3
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.21
• IUPAC Name: 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide
• SMILES: CC1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCOC(C(N)=O)C3)c2C1
• InChI: InChI=1S/C27H27N3O3/c1-17-13-19(15-18-7-3-2-4-8-18)25-21(14-17)24(20-9-5-6-10-22(20)29-25)27(32)30-11-12-33-23(16-30)26(28)31/h2-10,15,17,23H,11-14,16H2,1H3,(H2,28,31)/b19-15-
• InChIKey: RVJHEKBZDYXRIP-CYVLTUHYSA-N
• XLogP: 3.68
• TPSA: 85.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide?

The IUPAC name of 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide (CID 60607188) is 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide.

What is the SMILES notation for 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide?

The canonical SMILES for 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide is CC1C/C(=C/c2ccccc2)c2nc3ccccc3c(C(=O)N3CCOC(C(N)=O)C3)c2C1.

What is the InChIKey of 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide?

The InChIKey is RVJHEKBZDYXRIP-CYVLTUHYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-17-13-19(15-18-7-3-2-4-8-18)25-21(14-17)24(20-9-5-6-10-22(20)29-25)27(32)30-11-12-33-23(16-30)26(28)31/h2-10,15,17,23H,11-14,16H2,1H3,(H2,28,31)/b19-15-.

What are the key properties of 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide?

4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 60607188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).