2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane

C91H104F5N7O16 — CID 158030135

IUPAC2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane
SMILESC1CCOCC1.CCn1cc(C(=O)C(=O)COC)c2c(OCc3ccccc3)cc(F)cc21.CCn1cc(CC(=O)COC)c2c(OCc3ccccc3)cc(F)cc21.CCn1cc(CC(=O)N2CCOCC2)c2c(O)cc(F)cc21.CCn1cc(CC(=O)O)c2c(O)cc(F)cc21.CCn1cc(CCN2CCOCC2)c2c(O)cc(F)cc21
InChIInChI=1S/C21H20FNO4.C21H22FNO3.C16H19FN2O3.C16H21FN2O2.C12H12FNO3.C5H10O/c1-3-23-11-16(21(25)18(24)13-26-2)20-17(23)9-15(22)10-19(20)27-12-14-7-5-4-6-8-14;1-3-23-12-16(9-18(24)14-25-2)21-19(23)10-17(22)11-20(21)26-13-15-7-5-4-6-8-15;1-2-18-10-11(7-15(21)19-3-5-22-6-4-19)16-13(18)8-12(17)9-14(16)20;1-2-19-11-12(3-4-18-5-7-21-8-6-18)16-14(19)9-13(17)10-15(16)20;1-2-14-6-7(3-11(16)17)12-9(14)4-8(13)5-10(12)15;1-2-4-6-5-3-1/h4-11H,3,12-13H2,1-2H3;4-8,10-12H,3,9,13-14H2,1-2H3;8-10,20H,2-7H2,1H3;9-11,20H,2-8H2,1H3;4-6,15H,2-3H2,1H3,(H,16,17);1-5H2
InChIKeyFHBUHFQNENOHET-UHFFFAOYSA-N
MW1646.86 g/mol
LogP15.52
Rot. Bonds26

About 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane

2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane (PubChem CID 158030135) has the molecular formula C91H104F5N7O16 and a molecular weight of 1646.86 g/mol. Its IUPAC name is 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane.

Molecular Properties

Compound Name2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane
PubChem CID158030135
Molecular FormulaC91H104F5N7O16
Molecular Weight1646.86 g/mol
Exact Mass1645.75
IUPAC Name2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane
SMILESC1CCOCC1.CCn1cc(C(=O)C(=O)COC)c2c(OCc3ccccc3)cc(F)cc21.CCn1cc(CC(=O)COC)c2c(OCc3ccccc3)cc(F)cc21.CCn1cc(CC(=O)N2CCOCC2)c2c(O)cc(F)cc21.CCn1cc(CC(=O)O)c2c(O)cc(F)cc21.CCn1cc(CCN2CCOCC2)c2c(O)cc(F)cc21
InChIInChI=1S/C21H20FNO4.C21H22FNO3.C16H19FN2O3.C16H21FN2O2.C12H12FNO3.C5H10O/c1-3-23-11-16(21(25)18(24)13-26-2)20-17(23)9-15(22)10-19(20)27-12-14-7-5-4-6-8-14;1-3-23-12-16(9-18(24)14-25-2)21-19(23)10-17(22)11-20(21)26-13-15-7-5-4-6-8-15;1-2-18-10-11(7-15(21)19-3-5-22-6-4-19)16-13(18)8-12(17)9-14(16)20;1-2-19-11-12(3-4-18-5-7-21-8-6-18)16-14(19)9-13(17)10-15(16)20;1-2-14-6-7(3-11(16)17)12-9(14)4-8(13)5-10(12)15;1-2-4-6-5-3-1/h4-11H,3,12-13H2,1-2H3;4-8,10-12H,3,9,13-14H2,1-2H3;8-10,20H,2-7H2,1H3;9-11,20H,2-8H2,1H3;4-6,15H,2-3H2,1H3,(H,16,17);1-5H2
InChIKeyFHBUHFQNENOHET-UHFFFAOYSA-N
XLogP15.52
TPSA262.01 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001646.86
LogP ≤ 515.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane 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-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane?
The IUPAC name of 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane (CID 158030135) is 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane.
What is the SMILES notation for 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane?
The canonical SMILES for 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane is C1CCOCC1.CCn1cc(C(=O)C(=O)COC)c2c(OCc3ccccc3)cc(F)cc21.CCn1cc(CC(=O)COC)c2c(OCc3ccccc3)cc(F)cc21.CCn1cc(CC(=O)N2CCOCC2)c2c(O)cc(F)cc21.CCn1cc(CC(=O)O)c2c(O)cc(F)cc21.CCn1cc(CCN2CCOCC2)c2c(O)cc(F)cc21.
What is the InChIKey of 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane?
The InChIKey is FHBUHFQNENOHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4.C21H22FNO3.C16H19FN2O3.C16H21FN2O2.C12H12FNO3.C5H10O/c1-3-23-11-16(21(25)18(24)13-26-2)20-17(23)9-15(22)10-19(20)27-12-14-7-5-4-6-8-14;1-3-23-12-16(9-18(24)14-25-2)21-19(23)10-17(22)11-20(21)26-13-15-7-5-4-6-8-15;1-2-18-10-11(7-15(21)19-3-5-22-6-4-19)16-13(18)8-12(17)9-14(16)20;1-2-19-11-12(3-4-18-5-7-21-8-6-18)16-14(19)9-13(17)10-15(16)20;1-2-14-6-7(3-11(16)17)12-9(14)4-8(13)5-10(12)15;1-2-4-6-5-3-1/h4-11H,3,12-13H2,1-2H3;4-8,10-12H,3,9,13-14H2,1-2H3;8-10,20H,2-7H2,1H3;9-11,20H,2-8H2,1H3;4-6,15H,2-3H2,1H3,(H,16,17);1-5H2.
What are the key properties of 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane?
2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane has a molecular weight of 1646.86 g/mol, XLogP of 15.52, 26 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)acetic acid;2-(1-ethyl-6-fluoro-4-hydroxyindol-3-yl)-1-morpholin-4-ylethanone;1-ethyl-6-fluoro-3-(2-morpholin-4-ylethyl)indol-4-ol;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropane-1,2-dione;1-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-3-methoxypropan-2-one;oxane is sourced from PubChem (CID 158030135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).