1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]

C24H31N5 — CID 71169093

IUPAC1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]
SMILESc1ccc2c(c1)NCCC21CCN(C2CC3CCC(C2)N3c2cnccn2)CC1
InChIInChI=1S/C24H31N5/c1-2-4-22-21(3-1)24(7-10-26-22)8-13-28(14-9-24)20-15-18-5-6-19(16-20)29(18)23-17-25-11-12-27-23/h1-4,11-12,17-20,26H,5-10,13-16H2
InChIKeySZFQRWRZZSKUHS-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.83
Rot. Bonds2

About 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]

1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine] (PubChem CID 71169093) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine].

Molecular Properties

Compound Name1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]
PubChem CID71169093
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]
SMILESc1ccc2c(c1)NCCC21CCN(C2CC3CCC(C2)N3c2cnccn2)CC1
InChIInChI=1S/C24H31N5/c1-2-4-22-21(3-1)24(7-10-26-22)8-13-28(14-9-24)20-15-18-5-6-19(16-20)29(18)23-17-25-11-12-27-23/h1-4,11-12,17-20,26H,5-10,13-16H2
InChIKeySZFQRWRZZSKUHS-UHFFFAOYSA-N
XLogP3.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]?
The IUPAC name of 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine] (CID 71169093) is 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine].
What is the SMILES notation for 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]?
The canonical SMILES for 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine] is c1ccc2c(c1)NCCC21CCN(C2CC3CCC(C2)N3c2cnccn2)CC1.
What is the InChIKey of 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]?
The InChIKey is SZFQRWRZZSKUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-2-4-22-21(3-1)24(7-10-26-22)8-13-28(14-9-24)20-15-18-5-6-19(16-20)29(18)23-17-25-11-12-27-23/h1-4,11-12,17-20,26H,5-10,13-16H2.
What are the key properties of 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]?
1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine] has a molecular weight of 389.55 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(8-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine] is sourced from PubChem (CID 71169093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).