2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane

C18H23N3 — CID 120907566

IUPAC2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESc1cnc2c(CN3CCC4(CCNCC4)C3)cccc2c1
InChIInChI=1S/C18H23N3/c1-3-15-5-2-9-20-17(15)16(4-1)13-21-12-8-18(14-21)6-10-19-11-7-18/h1-5,9,19H,6-8,10-14H2
InChIKeySKIVVPMNVBEFTG-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds2

About 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane

2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 120907566) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID120907566
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESc1cnc2c(CN3CCC4(CCNCC4)C3)cccc2c1
InChIInChI=1S/C18H23N3/c1-3-15-5-2-9-20-17(15)16(4-1)13-21-12-8-18(14-21)6-10-19-11-7-18/h1-5,9,19H,6-8,10-14H2
InChIKeySKIVVPMNVBEFTG-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907414
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 64871920
2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906452
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907330
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 120907566) is 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane is c1cnc2c(CN3CCC4(CCNCC4)C3)cccc2c1.
What is the InChIKey of 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is SKIVVPMNVBEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-15-5-2-9-20-17(15)16(4-1)13-21-12-8-18(14-21)6-10-19-11-7-18/h1-5,9,19H,6-8,10-14H2.
What are the key properties of 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane?
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 281.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120907566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).