1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol

C24H25ClN2O3 — CID 11316232

About 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol

1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol (PubChem CID 11316232) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol.

Molecular Properties

• Compound Name: 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol
• PubChem CID: 11316232
• Molecular Formula: C24H25ClN2O3
• Molecular Weight: 424.93 g/mol
• Exact Mass: 424.16
• IUPAC Name: 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol
• SMILES: OC(COc1cccc2cccnc12)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2
• InChI: InChI=1S/C24H25ClN2O3/c25-19-6-7-21-18(13-19)14-24(30-21)8-11-27(12-9-24)15-20(28)16-29-22-5-1-3-17-4-2-10-26-23(17)22/h1-7,10,13,20,28H,8-9,11-12,14-16H2
• InChIKey: VTCHSSKGUVTYMR-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.93
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol?

The IUPAC name of 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol (CID 11316232) is 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol.

What is the SMILES notation for 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol?

The canonical SMILES for 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol is OC(COc1cccc2cccnc12)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2.

What is the InChIKey of 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol?

The InChIKey is VTCHSSKGUVTYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c25-19-6-7-21-18(13-19)14-24(30-21)8-11-27(12-9-24)15-20(28)16-29-22-5-1-3-17-4-2-10-26-23(17)22/h1-7,10,13,20,28H,8-9,11-12,14-16H2.

What are the key properties of 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol?

1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol has a molecular weight of 424.93 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol is sourced from PubChem (CID 11316232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).