1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol

C20H26FN3O2 — CID 125166878

IUPAC1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc3cc(F)ccc3cc2CNC[C@H]2CCCO2)CC1
InChIInChI=1S/C20H26FN3O2/c21-16-4-3-14-10-15(12-22-13-18-2-1-9-26-18)20(23-19(14)11-16)24-7-5-17(25)6-8-24/h3-4,10-11,17-18,22,25H,1-2,5-9,12-13H2/t18-/m1/s1
InChIKeyFIKPAAYOIKREOR-GOSISDBHSA-N
MW359.45 g/mol
LogP2.60
Rot. Bonds5

About 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol

1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol (PubChem CID 125166878) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol
PubChem CID125166878
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc3cc(F)ccc3cc2CNC[C@H]2CCCO2)CC1
InChIInChI=1S/C20H26FN3O2/c21-16-4-3-14-10-15(12-22-13-18-2-1-9-26-18)20(23-19(14)11-16)24-7-5-17(25)6-8-24/h3-4,10-11,17-18,22,25H,1-2,5-9,12-13H2/t18-/m1/s1
InChIKeyFIKPAAYOIKREOR-GOSISDBHSA-N
XLogP2.60
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol (CID 125166878) is 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol is OC1CCN(c2nc3cc(F)ccc3cc2CNC[C@H]2CCCO2)CC1.
What is the InChIKey of 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol?
The InChIKey is FIKPAAYOIKREOR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26FN3O2/c21-16-4-3-14-10-15(12-22-13-18-2-1-9-26-18)20(23-19(14)11-16)24-7-5-17(25)6-8-24/h3-4,10-11,17-18,22,25H,1-2,5-9,12-13H2/t18-/m1/s1.
What are the key properties of 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol?
1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol has a molecular weight of 359.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-[[[(2R)-oxolan-2-yl]methylamino]methyl]quinolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 125166878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).