2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol

C20H21FN2O2S — CID 126465027

IUPAC2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol
SMILESCSc1ccc2cc(CNCCO)c(OCc3ccccc3F)nc2c1
InChIInChI=1S/C20H21FN2O2S/c1-26-17-7-6-14-10-16(12-22-8-9-24)20(23-19(14)11-17)25-13-15-4-2-3-5-18(15)21/h2-7,10-11,22,24H,8-9,12-13H2,1H3
InChIKeyPXZQZMCBQHXFDC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.76
Rot. Bonds8

About 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol

2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol (PubChem CID 126465027) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol
PubChem CID126465027
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol
SMILESCSc1ccc2cc(CNCCO)c(OCc3ccccc3F)nc2c1
InChIInChI=1S/C20H21FN2O2S/c1-26-17-7-6-14-10-16(12-22-8-9-24)20(23-19(14)11-17)25-13-15-4-2-3-5-18(15)21/h2-7,10-11,22,24H,8-9,12-13H2,1H3
InChIKeyPXZQZMCBQHXFDC-UHFFFAOYSA-N
XLogP3.76
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol (CID 126465027) is 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol is CSc1ccc2cc(CNCCO)c(OCc3ccccc3F)nc2c1.
What is the InChIKey of 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol?
The InChIKey is PXZQZMCBQHXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-26-17-7-6-14-10-16(12-22-8-9-24)20(23-19(14)11-17)25-13-15-4-2-3-5-18(15)21/h2-7,10-11,22,24H,8-9,12-13H2,1H3.
What are the key properties of 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol?
2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol has a molecular weight of 372.47 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]ethanol is sourced from PubChem (CID 126465027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).