ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate

C21H21NO3 — CID 146289919

IUPACethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate
SMILESCCOC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1
InChIInChI=1S/C21H21NO3/c1-2-25-19(24)13-17-14-22-21-16(11-12-23)9-6-10-18(21)20(17)15-7-4-3-5-8-15/h3-10,14,23H,2,11-13H2,1H3
InChIKeyOXCCCBGTEXBUOC-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.54
Rot. Bonds6

About ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate

ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate (PubChem CID 146289919) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate
PubChem CID146289919
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Nameethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate
SMILESCCOC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1
InChIInChI=1S/C21H21NO3/c1-2-25-19(24)13-17-14-22-21-16(11-12-23)9-6-10-18(21)20(17)15-7-4-3-5-8-15/h3-10,14,23H,2,11-13H2,1H3
InChIKeyOXCCCBGTEXBUOC-UHFFFAOYSA-N
XLogP3.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-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

ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate
CID 123747455
N-(4-hydroxybutyl)-2-(4-phenyl-8-propylquinolin-3-yl)acetamide
CID 144823376
4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate
CID 142561670
4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl propan-2-yl phosphate;methane
CID 159690152
butan-1-amine;2-[8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylquinolin-3-yl]acetic acid;1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]heptan-2-one;1-hydroxypyrrolidine-2,5-dione
CID 158488427
ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate
CID 13373699
ethyl 2-[7-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 118986537
ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
CID 141122236
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 3-oxo-3-(3-phenylthieno[2,3-b]pyridin-2-yl)propanoate
CID 23585316
ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate?
The IUPAC name of ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate (CID 146289919) is ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate is CCOC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1.
What is the InChIKey of ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate?
The InChIKey is OXCCCBGTEXBUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-2-25-19(24)13-17-14-22-21-16(11-12-23)9-6-10-18(21)20(17)15-7-4-3-5-8-15/h3-10,14,23H,2,11-13H2,1H3.
What are the key properties of ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate?
ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate has a molecular weight of 335.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate is sourced from PubChem (CID 146289919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).