methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate

C20H26N2O3 — CID 110434020

IUPACmethyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1N1CCCCC1CCO
InChIInChI=1S/C20H26N2O3/c1-14-17(13-19(24)25-2)20(16-8-3-4-9-18(16)21-14)22-11-6-5-7-15(22)10-12-23/h3-4,8-9,15,23H,5-7,10-13H2,1-2H3
InChIKeyXWXJTYHYPXUISU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds5

About methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate

methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate (PubChem CID 110434020) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate
PubChem CID110434020
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Namemethyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1N1CCCCC1CCO
InChIInChI=1S/C20H26N2O3/c1-14-17(13-19(24)25-2)20(16-8-3-4-9-18(16)21-14)22-11-6-5-7-15(22)10-12-23/h3-4,8-9,15,23H,5-7,10-13H2,1-2H3
InChIKeyXWXJTYHYPXUISU-UHFFFAOYSA-N
XLogP3.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate 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

methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434107
methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate
CID 110434013
ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide
CID 70132088
1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide
CID 173154806
2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol
CID 78819129
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
methyl 2-[2-methyl-4-[(1-phenylcyclopropyl)amino]quinolin-3-yl]acetate
CID 110433162

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate (CID 110434020) is methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccccc2c1N1CCCCC1CCO.
What is the InChIKey of methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate?
The InChIKey is XWXJTYHYPXUISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-17(13-19(24)25-2)20(16-8-3-4-9-18(16)21-14)22-11-6-5-7-15(22)10-12-23/h3-4,8-9,15,23H,5-7,10-13H2,1-2H3.
What are the key properties of methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate?
methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate has a molecular weight of 342.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 110434020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).