2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C18H23ClFN3 — CID 120907414

IUPAC2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.Fc1cc(CN2CCC3(CCNCC3)C2)c2ncccc2c1
InChIInChI=1S/C18H22FN3.ClH/c19-16-10-14-2-1-6-21-17(14)15(11-16)12-22-9-5-18(13-22)3-7-20-8-4-18;/h1-2,6,10-11,20H,3-5,7-9,12-13H2;1H
InChIKeyAYNZMELCBXVFIT-UHFFFAOYSA-N
MW335.85 g/mol
LogP3.37
Rot. Bonds2

About 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120907414) has the molecular formula C18H23ClFN3 and a molecular weight of 335.85 g/mol. Its IUPAC name is 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120907414
Molecular FormulaC18H23ClFN3
Molecular Weight335.85 g/mol
Exact Mass335.16
IUPAC Name2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.Fc1cc(CN2CCC3(CCNCC3)C2)c2ncccc2c1
InChIInChI=1S/C18H22FN3.ClH/c19-16-10-14-2-1-6-21-17(14)15(11-16)12-22-9-5-18(13-22)3-7-20-8-4-18;/h1-2,6,10-11,20H,3-5,7-9,12-13H2;1H
InChIKeyAYNZMELCBXVFIT-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906452
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907330
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
N-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424086
1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione
CID 97185355
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120907414) is 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Cl.Fc1cc(CN2CCC3(CCNCC3)C2)c2ncccc2c1.
What is the InChIKey of 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is AYNZMELCBXVFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3.ClH/c19-16-10-14-2-1-6-21-17(14)15(11-16)12-22-9-5-18(13-22)3-7-20-8-4-18;/h1-2,6,10-11,20H,3-5,7-9,12-13H2;1H.
What are the key properties of 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 335.85 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120907414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).