1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol

C57H58F3N7O6 — CID 158020962

About 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol

1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol (PubChem CID 158020962) has the molecular formula C57H58F3N7O6 and a molecular weight of 991.14 g/mol. Its IUPAC name is 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol
• PubChem CID: 158020962
• Molecular Formula: C57H58F3N7O6
• Molecular Weight: 991.14 g/mol
• Exact Mass: 990.45
• IUPAC Name: 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol
• SMILES: CN(C)c1ccc(-c2ccc3cc(OCC(O)C[18F])ccc3n2)cc1.CNc1ccc(-c2ccc3cc(OCC(O)C[18F])ccc3n2)cc1.CNc1ccc(-c2ccc3cc(OCC(O)C[18F])ccc3n2)cn1
• InChI: InChI=1S/C20H21FN2O2.C19H19FN2O2.C18H18FN3O2/c1-23(2)16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)22-19)25-13-17(24)12-21;1-21-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)22-18)24-12-16(23)11-20;1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h3-11,17,24H,12-13H2,1-2H3;2-10,16,21,23H,11-12H2,1H3;2-8,10,14,23H,9,11H2,1H3,(H,20,21)/i21-1;20-1;19-1
• InChIKey: FGBCERKZLNVNMK-KVYMGZTQSA-N
• XLogP: 10.38
• TPSA: 167.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.14
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol?

The IUPAC name of 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol (CID 158020962) is 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol.

What is the SMILES notation for 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol?

The canonical SMILES for 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol is CN(C)c1ccc(-c2ccc3cc(OCC(O)C[18F])ccc3n2)cc1.CNc1ccc(-c2ccc3cc(OCC(O)C[18F])ccc3n2)cc1.CNc1ccc(-c2ccc3cc(OCC(O)C[18F])ccc3n2)cn1.

What is the InChIKey of 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol?

The InChIKey is FGBCERKZLNVNMK-KVYMGZTQSA-N. The full InChI is InChI=1S/C20H21FN2O2.C19H19FN2O2.C18H18FN3O2/c1-23(2)16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)22-19)25-13-17(24)12-21;1-21-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)22-18)24-12-16(23)11-20;1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h3-11,17,24H,12-13H2,1-2H3;2-10,16,21,23H,11-12H2,1H3;2-8,10,14,23H,9,11H2,1H3,(H,20,21)/i21-1;20-1;19-1.

What are the key properties of 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol?

1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol has a molecular weight of 991.14 g/mol, XLogP of 10.38, 18 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol is sourced from PubChem (CID 158020962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).