6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C30H39ClN4O — CID 68985147

About 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 68985147) has the molecular formula C30H39ClN4O and a molecular weight of 507.12 g/mol. Its IUPAC name is 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
• PubChem CID: 68985147
• Molecular Formula: C30H39ClN4O
• Molecular Weight: 507.12 g/mol
• Exact Mass: 506.28
• IUPAC Name: 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
• SMILES: O=c1ccc2c([nH]1)CCC(NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2
• InChI: InChI=1S/C30H39ClN4O/c31-22-12-14-25-28(20-22)34-27-10-6-5-9-24(27)30(25)33-18-8-4-2-1-3-7-17-32-23-13-15-26-21(19-23)11-16-29(36)35-26/h11-12,14,16,20,23,32H,1-10,13,15,17-19H2,(H,33,34)(H,35,36)
• InChIKey: MJGWIGHIQLEJMP-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.12
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?

The IUPAC name of 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 68985147) is 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

What is the SMILES notation for 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?

The canonical SMILES for 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCC(NCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)C2.

What is the InChIKey of 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?

The InChIKey is MJGWIGHIQLEJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN4O/c31-22-12-14-25-28(20-22)34-27-10-6-5-9-24(27)30(25)33-18-8-4-2-1-3-7-17-32-23-13-15-26-21(19-23)11-16-29(36)35-26/h11-12,14,16,20,23,32H,1-10,13,15,17-19H2,(H,33,34)(H,35,36).

What are the key properties of 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?

6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 507.12 g/mol, XLogP of 6.35, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 68985147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).