5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C32H43ClN4O — CID 68980489

About 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 68980489) has the molecular formula C32H43ClN4O and a molecular weight of 535.18 g/mol. Its IUPAC name is 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
• PubChem CID: 68980489
• Molecular Formula: C32H43ClN4O
• Molecular Weight: 535.18 g/mol
• Exact Mass: 534.31
• IUPAC Name: 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
• SMILES: O=c1ccc2c([nH]1)CCCC2NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
• InChI: InChI=1S/C32H43ClN4O/c33-23-16-17-26-30(22-23)36-29-13-8-7-12-25(29)32(26)35-21-10-6-4-2-1-3-5-9-20-34-27-14-11-15-28-24(27)18-19-31(38)37-28/h16-19,22,27,34H,1-15,20-21H2,(H,35,36)(H,37,38)
• InChIKey: NZNBPRGOJIVKFV-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.18
LogP ≤ 5	7.66
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 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?

The IUPAC name of 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 68980489) is 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

What is the SMILES notation for 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?

The canonical SMILES for 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.

What is the InChIKey of 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?

The InChIKey is NZNBPRGOJIVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43ClN4O/c33-23-16-17-26-30(22-23)36-29-13-8-7-12-25(29)32(26)35-21-10-6-4-2-1-3-5-9-20-34-27-14-11-15-28-24(27)18-19-31(38)37-28/h16-19,22,27,34H,1-15,20-21H2,(H,35,36)(H,37,38).

What are the key properties of 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?

5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 535.18 g/mol, XLogP of 7.66, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 68980489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).