3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol

C17H22N2O — CID 62469231

IUPAC3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C17H22N2O/c20-11-3-6-16-5-2-10-19(16)13-14-7-8-17-15(12-14)4-1-9-18-17/h1,4,7-9,12,16,20H,2-3,5-6,10-11,13H2
InChIKeyZWCIXZIIOXDYSC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.97
Rot. Bonds5

About 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469231) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469231
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C17H22N2O/c20-11-3-6-16-5-2-10-19(16)13-14-7-8-17-15(12-14)4-1-9-18-17/h1,4,7-9,12,16,20H,2-3,5-6,10-11,13H2
InChIKeyZWCIXZIIOXDYSC-UHFFFAOYSA-N
XLogP2.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479564
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492
2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45177358
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
CID 43183351
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 111462081

Frequently Asked Questions

What is the IUPAC name of 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol (CID 62469231) is 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1ccc2ncccc2c1.
What is the InChIKey of 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZWCIXZIIOXDYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-11-3-6-16-5-2-10-19(16)13-14-7-8-17-15(12-14)4-1-9-18-17/h1,4,7-9,12,16,20H,2-3,5-6,10-11,13H2.
What are the key properties of 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).