[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol

C15H17FN2O2 — CID 128978432

IUPAC[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(c2ccc3ccc(F)cc3n2)C1
InChIInChI=1S/C15H17FN2O2/c1-20-13-7-12(9-19)18(8-13)15-5-3-10-2-4-11(16)6-14(10)17-15/h2-6,12-13,19H,7-9H2,1H3/t12-,13+/m0/s1
InChIKeyLFHATLLPKOIBNB-QWHCGFSZSA-N
MW276.31 g/mol
LogP1.96
Rot. Bonds3

About [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol

[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 128978432) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
PubChem CID128978432
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(c2ccc3ccc(F)cc3n2)C1
InChIInChI=1S/C15H17FN2O2/c1-20-13-7-12(9-19)18(8-13)15-5-3-10-2-4-11(16)6-14(10)17-15/h2-6,12-13,19H,7-9H2,1H3/t12-,13+/m0/s1
InChIKeyLFHATLLPKOIBNB-QWHCGFSZSA-N
XLogP1.96
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4R)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978147
[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 167968989
6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128975814
[(2S,4R)-4-methoxy-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]pyrrolidin-2-yl]methanol
CID 138033552
2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128978208
2-(2,4-difluorophenyl)-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]ethanone
CID 128984802
(2-chloro-4-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985191
[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 128975816
[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128970907
4-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128978115
[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978209
(2S,4S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 128978284

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol (CID 128978432) is [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(c2ccc3ccc(F)cc3n2)C1.
What is the InChIKey of [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is LFHATLLPKOIBNB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-20-13-7-12(9-19)18(8-13)15-5-3-10-2-4-11(16)6-14(10)17-15/h2-6,12-13,19H,7-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 276.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 128978432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).