3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol

C17H22N2O2 — CID 62469009

IUPAC3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1nc2ccccc2cc1CO
InChIInChI=1S/C17H22N2O2/c20-10-4-7-15-6-3-9-19(15)17-14(12-21)11-13-5-1-2-8-16(13)18-17/h1-2,5,8,11,15,20-21H,3-4,6-7,9-10,12H2
InChIKeyDZMDQLYQXSHIGL-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.47
Rot. Bonds5

About 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469009) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62469009
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1c1nc2ccccc2cc1CO
InChIInChI=1S/C17H22N2O2/c20-10-4-7-15-6-3-9-19(15)17-14(12-21)11-13-5-1-2-8-16(13)18-17/h1-2,5,8,11,15,20-21H,3-4,6-7,9-10,12H2
InChIKeyDZMDQLYQXSHIGL-UHFFFAOYSA-N
XLogP2.47
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
CID 61410857
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492
[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
CID 116634094
3-(bromomethyl)-2-(2-ethylpiperidin-1-yl)quinoline
CID 107079898
2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
CID 75421713
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 77034286
[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
CID 61421257
3-[1-[4-bromo-2-(hydroxymethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 114061400
2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline
CID 63390155
3-(bromomethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)quinoline
CID 107084254
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
CID 56884115

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol (CID 62469009) is 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1c1nc2ccccc2cc1CO.
What is the InChIKey of 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DZMDQLYQXSHIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-10-4-7-15-6-3-9-19(15)17-14(12-21)11-13-5-1-2-8-16(13)18-17/h1-2,5,8,11,15,20-21H,3-4,6-7,9-10,12H2.
What are the key properties of 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(hydroxymethyl)quinolin-2-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).