1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide

C26H35IN6O — CID 143533089

About 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide

1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide (PubChem CID 143533089) has the molecular formula C26H35IN6O and a molecular weight of 574.51 g/mol. Its IUPAC name is 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
• PubChem CID: 143533089
• Molecular Formula: C26H35IN6O
• Molecular Weight: 574.51 g/mol
• Exact Mass: 574.19
• IUPAC Name: 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
• SMILES: CN(C)C(=O)N1CCC2(CCN(C3CC4CCC(C3)N4C3=NC=IN=C3)CC2)c2ccccc21
• InChI: InChI=1S/C26H35IN6O/c1-30(2)25(34)32-14-11-26(22-5-3-4-6-23(22)32)9-12-31(13-10-26)21-15-19-7-8-20(16-21)33(19)24-17-29-27-18-28-24/h3-6,17-21H,7-16H2,1-2H3
• InChIKey: FXHGPWQRNTXSHI-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 54.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.51
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?

The IUPAC name of 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide (CID 143533089) is 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide.

What is the SMILES notation for 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?

The canonical SMILES for 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CCC2(CCN(C3CC4CCC(C3)N4C3=NC=IN=C3)CC2)c2ccccc21.

What is the InChIKey of 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?

The InChIKey is FXHGPWQRNTXSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35IN6O/c1-30(2)25(34)32-14-11-26(22-5-3-4-6-23(22)32)9-12-31(13-10-26)21-15-19-7-8-20(16-21)33(19)24-17-29-27-18-28-24/h3-6,17-21H,7-16H2,1-2H3.

What are the key properties of 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?

1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide has a molecular weight of 574.51 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[8-(1λ3-ioda-2,5-diazacyclohexa-2,4,6-trien-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-N,N-dimethylspiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 143533089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).