2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride

C32H42Cl2N4O — CID 46855034

About 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride

2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride (PubChem CID 46855034) has the molecular formula C32H42Cl2N4O and a molecular weight of 569.62 g/mol. Its IUPAC name is 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride.

Molecular Properties

• Compound Name: 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride
• PubChem CID: 46855034
• Molecular Formula: C32H42Cl2N4O
• Molecular Weight: 569.62 g/mol
• Exact Mass: 568.27
• IUPAC Name: 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride
• SMILES: Cc1ccc2ccc(CNCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(O)c2n1.Cl.Cl
• InChI: InChI=1S/C32H40N4O.2ClH/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31;;/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36);2*1H
• InChIKey: HZCIMTALIJFCSQ-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 70.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.62
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride?

The IUPAC name of 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride (CID 46855034) is 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride.

What is the SMILES notation for 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride?

The canonical SMILES for 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride is Cc1ccc2ccc(CNCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(O)c2n1.Cl.Cl.

What is the InChIKey of 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride?

The InChIKey is HZCIMTALIJFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O.2ClH/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31;;/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36);2*1H.

What are the key properties of 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride?

2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride has a molecular weight of 569.62 g/mol, XLogP of 8.06, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride is sourced from PubChem (CID 46855034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).