3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one

C22H27N3O — CID 138614211

IUPAC3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one
SMILESO=c1[nH]c(N2CCC3(CCNc4ccccc43)CC2)cc2c1CCCC2
InChIInChI=1S/C22H27N3O/c26-21-17-6-2-1-5-16(17)15-20(24-21)25-13-10-22(11-14-25)9-12-23-19-8-4-3-7-18(19)22/h3-4,7-8,15,23H,1-2,5-6,9-14H2,(H,24,26)
InChIKeyQBICWSSBGDHITG-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.61
Rot. Bonds1

About 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one

3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one (PubChem CID 138614211) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one
PubChem CID138614211
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one
SMILESO=c1[nH]c(N2CCC3(CCNc4ccccc43)CC2)cc2c1CCCC2
InChIInChI=1S/C22H27N3O/c26-21-17-6-2-1-5-16(17)15-20(24-21)25-13-10-22(11-14-25)9-12-23-19-8-4-3-7-18(19)22/h3-4,7-8,15,23H,1-2,5-6,9-14H2,(H,24,26)
InChIKeyQBICWSSBGDHITG-UHFFFAOYSA-N
XLogP3.61
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one?
The IUPAC name of 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one (CID 138614211) is 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one.
What is the SMILES notation for 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one?
The canonical SMILES for 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one is O=c1[nH]c(N2CCC3(CCNc4ccccc43)CC2)cc2c1CCCC2.
What is the InChIKey of 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one?
The InChIKey is QBICWSSBGDHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-21-17-6-2-1-5-16(17)15-20(24-21)25-13-10-22(11-14-25)9-12-23-19-8-4-3-7-18(19)22/h3-4,7-8,15,23H,1-2,5-6,9-14H2,(H,24,26).
What are the key properties of 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one?
3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one has a molecular weight of 349.48 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one is sourced from PubChem (CID 138614211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).