N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C30H33ClN4O3 — CID 10007264

About N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 10007264) has the molecular formula C30H33ClN4O3 and a molecular weight of 533.07 g/mol. Its IUPAC name is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
• PubChem CID: 10007264
• Molecular Formula: C30H33ClN4O3
• Molecular Weight: 533.07 g/mol
• Exact Mass: 532.22
• IUPAC Name: N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
• SMILES: O=C(CN1C(=O)c2ccccc2C1=O)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
• InChI: InChI=1S/C30H33ClN4O3/c31-20-14-15-24-26(18-20)34-25-13-7-6-12-23(25)28(24)33-17-9-3-1-2-8-16-32-27(36)19-35-29(37)21-10-4-5-11-22(21)30(35)38/h4-5,10-11,14-15,18H,1-3,6-9,12-13,16-17,19H2,(H,32,36)(H,33,34)
• InChIKey: CMAUFICHSLSADI-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.07
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?

The IUPAC name of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 10007264) is N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

What is the SMILES notation for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?

The canonical SMILES for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.

What is the InChIKey of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?

The InChIKey is CMAUFICHSLSADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN4O3/c31-20-14-15-24-26(18-20)34-25-13-7-6-12-23(25)28(24)33-17-9-3-1-2-8-16-32-27(36)19-35-29(37)21-10-4-5-11-22(21)30(35)38/h4-5,10-11,14-15,18H,1-3,6-9,12-13,16-17,19H2,(H,32,36)(H,33,34).

What are the key properties of N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?

N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 533.07 g/mol, XLogP of 5.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 10007264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).