1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol

C19H19FN2O2 — CID 18433117

IUPAC1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C19H19FN2O2/c1-21-11-15(23)12-24-19-10-18(13-5-3-2-4-6-13)22-17-8-7-14(20)9-16(17)19/h2-10,15,21,23H,11-12H2,1H3
InChIKeyZJFZOHCOFUDPQK-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.00
Rot. Bonds6

About 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol

1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol (PubChem CID 18433117) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol
PubChem CID18433117
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C19H19FN2O2/c1-21-11-15(23)12-24-19-10-18(13-5-3-2-4-6-13)22-17-8-7-14(20)9-16(17)19/h2-10,15,21,23H,11-12H2,1H3
InChIKeyZJFZOHCOFUDPQK-UHFFFAOYSA-N
XLogP3.00
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol 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 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol (CID 18433117) is 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol?
The InChIKey is ZJFZOHCOFUDPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-21-11-15(23)12-24-19-10-18(13-5-3-2-4-6-13)22-17-8-7-14(20)9-16(17)19/h2-10,15,21,23H,11-12H2,1H3.
What are the key properties of 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol?
1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol has a molecular weight of 326.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-phenylquinolin-4-yl)oxy-3-(methylamino)propan-2-ol is sourced from PubChem (CID 18433117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).