2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol

C16H20N2O — CID 115733660

IUPAC2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cc2ccccc2nc1N1CCC(CCO)C1
InChIInChI=1S/C16H20N2O/c1-12-10-14-4-2-3-5-15(14)17-16(12)18-8-6-13(11-18)7-9-19/h2-5,10,13,19H,6-9,11H2,1H3
InChIKeyIFOTXCTWZJWVJC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds3

About 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol

2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 115733660) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID115733660
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cc2ccccc2nc1N1CCC(CCO)C1
InChIInChI=1S/C16H20N2O/c1-12-10-14-4-2-3-5-15(14)17-16(12)18-8-6-13(11-18)7-9-19/h2-5,10,13,19H,6-9,11H2,1H3
InChIKeyIFOTXCTWZJWVJC-UHFFFAOYSA-N
XLogP2.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine
CID 114961620
2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline
CID 114682615
2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 114799546
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 115965334
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 64599168
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
CID 71650041
[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
CID 61421257
[1-[3-(methylamino)quinoxalin-2-yl]pyrrolidin-3-yl]methanol
CID 71648040
2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114798609
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
CID 56884115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol (CID 115733660) is 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol is Cc1cc2ccccc2nc1N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is IFOTXCTWZJWVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-14-4-2-3-5-15(14)17-16(12)18-8-6-13(11-18)7-9-19/h2-5,10,13,19H,6-9,11H2,1H3.
What are the key properties of 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol?
2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 256.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115733660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).