[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol

C15H18FN3O — CID 167952495

IUPAC[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1nc2ccccc2nc1CN1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C15H18FN3O/c1-10-15(8-19-7-11(16)6-12(19)9-20)18-14-5-3-2-4-13(14)17-10/h2-5,11-12,20H,6-9H2,1H3/t11-,12-/m0/s1
InChIKeyFHGMAOFSCDBWFF-RYUDHWBXSA-N
MW275.33 g/mol
LogP1.84
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 167952495) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID167952495
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1nc2ccccc2nc1CN1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C15H18FN3O/c1-10-15(8-19-7-11(16)6-12(19)9-20)18-14-5-3-2-4-13(14)17-10/h2-5,11-12,20H,6-9H2,1H3/t11-,12-/m0/s1
InChIKeyFHGMAOFSCDBWFF-RYUDHWBXSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 154757023
[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128986665
[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 133120430
1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909636
[(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128986804
[(2S,4S)-1-[(2,3-dimethoxyphenyl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128983320
(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
CID 70786002
[(2S,4S)-1-[(3,5-dimethoxyphenyl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128983256
[(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128983351
N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
CID 74236742
(4aS,8aS)-4-[(3-methylquinoxalin-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94414210
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 128986678

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 167952495) is [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol is Cc1nc2ccccc2nc1CN1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FHGMAOFSCDBWFF-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-15(8-19-7-11(16)6-12(19)9-20)18-14-5-3-2-4-13(14)17-10/h2-5,11-12,20H,6-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 275.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167952495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).