[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol

C16H19FN2O2 — CID 167968989

IUPAC[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(c2cc(C)nc3ccc(F)cc23)C1
InChIInChI=1S/C16H19FN2O2/c1-10-5-16(14-6-11(17)3-4-15(14)18-10)19-8-13(21-2)7-12(19)9-20/h3-6,12-13,20H,7-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyRYUDAWJRNWLQIW-STQMWFEESA-N
MW290.34 g/mol
LogP2.27
Rot. Bonds3

About [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol

[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 167968989) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol
PubChem CID167968989
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol
SMILESCO[C@H]1C[C@@H](CO)N(c2cc(C)nc3ccc(F)cc23)C1
InChIInChI=1S/C16H19FN2O2/c1-10-5-16(14-6-11(17)3-4-15(14)18-10)19-8-13(21-2)7-12(19)9-20/h3-6,12-13,20H,7-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyRYUDAWJRNWLQIW-STQMWFEESA-N
XLogP2.27
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol (CID 167968989) is [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol is CO[C@H]1C[C@@H](CO)N(c2cc(C)nc3ccc(F)cc23)C1.
What is the InChIKey of [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is RYUDAWJRNWLQIW-STQMWFEESA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-10-5-16(14-6-11(17)3-4-15(14)18-10)19-8-13(21-2)7-12(19)9-20/h3-6,12-13,20H,7-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol?
[(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 290.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(6-fluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 167968989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).