2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile

C17H17N3 — CID 133480851

IUPAC2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(N3CCCC4(CC4)C3)ccc2c1
InChIInChI=1S/C17H17N3/c18-11-13-2-4-15-14(10-13)3-5-16(19-15)20-9-1-6-17(12-20)7-8-17/h2-5,10H,1,6-9,12H2
InChIKeyQBXJAYHJTSQVEU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.49
Rot. Bonds1

About 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile

2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile (PubChem CID 133480851) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile
PubChem CID133480851
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(N3CCCC4(CC4)C3)ccc2c1
InChIInChI=1S/C17H17N3/c18-11-13-2-4-15-14(10-13)3-5-16(19-15)20-9-1-6-17(12-20)7-8-17/h2-5,10H,1,6-9,12H2
InChIKeyQBXJAYHJTSQVEU-UHFFFAOYSA-N
XLogP3.49
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-azaspiro[2.5]octan-5-yl)benzonitrile
CID 133480870
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558
8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711030
6-chloro-2-(3,3-difluoropyrrolidin-1-yl)quinoline
CID 163351362
2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile
CID 133430717
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]quinoline-6-carbonitrile
CID 166196562
5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
CID 133481074
2-(4,4-dimethylazepan-1-yl)quinolin-6-amine
CID 65283520
2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]quinoline-6-carbonitrile
CID 97094498
5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane
CID 164658112
6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
CID 97482358
5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
CID 133491304

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile?
The IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile (CID 133480851) is 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile.
What is the SMILES notation for 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile?
The canonical SMILES for 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile is N#Cc1ccc2nc(N3CCCC4(CC4)C3)ccc2c1.
What is the InChIKey of 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile?
The InChIKey is QBXJAYHJTSQVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-11-13-2-4-15-14(10-13)3-5-16(19-15)20-9-1-6-17(12-20)7-8-17/h2-5,10H,1,6-9,12H2.
What are the key properties of 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile?
2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile is sourced from PubChem (CID 133480851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).