(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone

C32H32ClN3O — CID 76819984

About (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone

(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone (PubChem CID 76819984) has the molecular formula C32H32ClN3O and a molecular weight of 510.08 g/mol. Its IUPAC name is (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone
• PubChem CID: 76819984
• Molecular Formula: C32H32ClN3O
• Molecular Weight: 510.08 g/mol
• Exact Mass: 509.22
• IUPAC Name: (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone
• SMILES: O=C(C1CNCC12CCCc1nc(Cl)ccc12)N1CCC2(C=Cc3ccccc32)CC1c1ccccc1
• InChI: InChI=1S/C32H32ClN3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2
• InChIKey: ZLADFTQKDXFOSW-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.08
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone?

The IUPAC name of (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone (CID 76819984) is (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone is O=C(C1CNCC12CCCc1nc(Cl)ccc12)N1CCC2(C=Cc3ccccc32)CC1c1ccccc1.

What is the InChIKey of (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone?

The InChIKey is ZLADFTQKDXFOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2.

What are the key properties of (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone?

(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 510.08 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-(2'-phenylspiro[indene-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 76819984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).