(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol

C74H92F2N6O11Si — CID 158214652

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CO)CF.CCOC(C)Oc1ccc2nc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)ccc2c1.CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.CNc1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cc1
InChIInChI=1S/C25H30N2O4.C21H22N2O3.C19H19FN2O2.C9H21FO2Si/c1-7-29-17(2)30-21-13-15-23-19(16-21)10-14-22(26-23)18-8-11-20(12-9-18)27(6)24(28)31-25(3,4)5;1-21(2,3)26-20(25)23(4)16-8-5-14(6-9-16)18-11-7-15-13-17(24)10-12-19(15)22-18;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;1-9(2,3)13(4,5)12-8(6-10)7-11/h8-17H,7H2,1-6H3;5-13,24H,1-4H3;2-10,16,21,23H,11-12H2,1H3;8,11H,6-7H2,1-5H3/t;;16-;8-/m..11/s1
InChIKeyGCMPBVFPOUAJKN-PWJJUEQWSA-N
MW1307.66 g/mol
LogP17.00
Rot. Bonds18

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol (PubChem CID 158214652) has the molecular formula C74H92F2N6O11Si and a molecular weight of 1307.66 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol
PubChem CID158214652
Molecular FormulaC74H92F2N6O11Si
Molecular Weight1307.66 g/mol
Exact Mass1306.66
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CO)CF.CCOC(C)Oc1ccc2nc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)ccc2c1.CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.CNc1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cc1
InChIInChI=1S/C25H30N2O4.C21H22N2O3.C19H19FN2O2.C9H21FO2Si/c1-7-29-17(2)30-21-13-15-23-19(16-21)10-14-22(26-23)18-8-11-20(12-9-18)27(6)24(28)31-25(3,4)5;1-21(2,3)26-20(25)23(4)16-8-5-14(6-9-16)18-11-7-15-13-17(24)10-12-19(15)22-18;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;1-9(2,3)13(4,5)12-8(6-10)7-11/h8-17H,7H2,1-6H3;5-13,24H,1-4H3;2-10,16,21,23H,11-12H2,1H3;8,11H,6-7H2,1-5H3/t;;16-;8-/m..11/s1
InChIKeyGCMPBVFPOUAJKN-PWJJUEQWSA-N
XLogP17.00
TPSA207.39 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.66
LogP ≤ 517.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol (CID 158214652) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol is CC(C)(C)[Si](C)(C)O[C@@H](CO)CF.CCOC(C)Oc1ccc2nc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)ccc2c1.CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.CNc1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cc1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol?
The InChIKey is GCMPBVFPOUAJKN-PWJJUEQWSA-N. The full InChI is InChI=1S/C25H30N2O4.C21H22N2O3.C19H19FN2O2.C9H21FO2Si/c1-7-29-17(2)30-21-13-15-23-19(16-21)10-14-22(26-23)18-8-11-20(12-9-18)27(6)24(28)31-25(3,4)5;1-21(2,3)26-20(25)23(4)16-8-5-14(6-9-16)18-11-7-15-13-17(24)10-12-19(15)22-18;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;1-9(2,3)13(4,5)12-8(6-10)7-11/h8-17H,7H2,1-6H3;5-13,24H,1-4H3;2-10,16,21,23H,11-12H2,1H3;8,11H,6-7H2,1-5H3/t;;16-;8-/m..11/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol has a molecular weight of 1307.66 g/mol, XLogP of 17.00, 18 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[6-(1-ethoxyethoxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-[4-(6-hydroxyquinolin-2-yl)phenyl]-N-methylcarbamate;(2S)-1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol is sourced from PubChem (CID 158214652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).