[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

C25H29ClN4O — CID 58549596

IUPAC[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESO=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C25H29ClN4O/c26-22-8-7-18-21(29-22)6-3-9-25(18)16-27-14-19(25)23(31)30-12-10-24(11-13-30)15-28-20-5-2-1-4-17(20)24/h1-2,4-5,7-8,19,27-28H,3,6,9-16H2/t19-,25-/m0/s1
InChIKeyYXGGDDKPQSEWRM-DFBJGRDBSA-N
MW436.99 g/mol
LogP3.51
Rot. Bonds1

About [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (PubChem CID 58549596) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
PubChem CID58549596
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESO=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C25H29ClN4O/c26-22-8-7-18-21(29-22)6-3-9-25(18)16-27-14-19(25)23(31)30-12-10-24(11-13-30)15-28-20-5-2-1-4-17(20)24/h1-2,4-5,7-8,19,27-28H,3,6,9-16H2/t19-,25-/m0/s1
InChIKeyYXGGDDKPQSEWRM-DFBJGRDBSA-N
XLogP3.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (CID 58549596) is [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is YXGGDDKPQSEWRM-DFBJGRDBSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-22-8-7-18-21(29-22)6-3-9-25(18)16-27-14-19(25)23(31)30-12-10-24(11-13-30)15-28-20-5-2-1-4-17(20)24/h1-2,4-5,7-8,19,27-28H,3,6,9-16H2/t19-,25-/m0/s1.
What are the key properties of [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 436.99 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 58549596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).