2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol

C16H19FN2O — CID 115648296

IUPAC2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2cc(F)cc3cccnc23)C1
InChIInChI=1S/C16H19FN2O/c17-15-8-13-2-1-5-18-16(13)14(9-15)11-19-6-3-12(10-19)4-7-20/h1-2,5,8-9,12,20H,3-4,6-7,10-11H2
InChIKeySRYMELUXOCDRBV-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.58
Rot. Bonds4

About 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648296) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115648296
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2cc(F)cc3cccnc23)C1
InChIInChI=1S/C16H19FN2O/c17-15-8-13-2-1-5-18-16(13)14(9-15)11-19-6-3-12(10-19)4-7-20/h1-2,5,8-9,12,20H,3-4,6-7,10-11H2
InChIKeySRYMELUXOCDRBV-UHFFFAOYSA-N
XLogP2.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 114797722
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 114799919
2-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648409
6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline
CID 86773477
(2R)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156923
2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol
CID 102677075
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
CID 56813387
(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342775
1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923455
2-[1-[(2-hydrazinyl-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107228801

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115648296) is 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(Cc2cc(F)cc3cccnc23)C1.
What is the InChIKey of 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SRYMELUXOCDRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-15-8-13-2-1-5-18-16(13)14(9-15)11-19-6-3-12(10-19)4-7-20/h1-2,5,8-9,12,20H,3-4,6-7,10-11H2.
What are the key properties of 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 274.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).