tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate

C22H37N3O3Si — CID 58274799

IUPACtert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCO[Si](C)(C)C(C)(C)C)/C(=N\N)c2ccccc21
InChIInChI=1S/C22H37N3O3Si/c1-21(2,3)28-20(26)25-15-16(13-14-27-29(7,8)22(4,5)6)19(24-23)17-11-9-10-12-18(17)25/h9-12,16H,13-15,23H2,1-8H3/b24-19+
InChIKeyWXGPMVGECPPMQI-LYBHJNIJSA-N
MW419.64 g/mol
LogP5.13
Rot. Bonds4

About tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate

tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate (PubChem CID 58274799) has the molecular formula C22H37N3O3Si and a molecular weight of 419.64 g/mol. Its IUPAC name is tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate
PubChem CID58274799
Molecular FormulaC22H37N3O3Si
Molecular Weight419.64 g/mol
Exact Mass419.26
IUPAC Nametert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCO[Si](C)(C)C(C)(C)C)/C(=N\N)c2ccccc21
InChIInChI=1S/C22H37N3O3Si/c1-21(2,3)28-20(26)25-15-16(13-14-27-29(7,8)22(4,5)6)19(24-23)17-11-9-10-12-18(17)25/h9-12,16H,13-15,23H2,1-8H3/b24-19+
InChIKeyWXGPMVGECPPMQI-LYBHJNIJSA-N
XLogP5.13
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 134972074
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl (3R)-3-(3-hydroxypropyl)-2,3-dihydroindole-1-carboxylate
CID 155903983
tert-butyl (3S)-3-(3-methoxy-3-oxopropyl)-2,3-dihydroindole-1-carboxylate
CID 102513493
tert-butyl 3-hexyl-2,3-dihydroindole-1-carboxylate
CID 171661748
13-O-tert-butyl 10-O-ethyl (1S,8R,9S,12R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-13-azatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,13-dicarboxylate
CID 102380187
tert-butyl (2R,3Z,12bS)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethylidene-4-oxo-2,6,7,12b-tetrahydro-1H-indolo[2,3-a]quinolizine-12-carboxylate
CID 73055229
tert-butyl 3-(2-methoxyprop-2-enyl)-2,3-dihydroindole-1-carboxylate
CID 89073245
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
tert-butyl 4-oxospiro[2H-quinoline-3,2'-oxirane]-1-carboxylate
CID 138963331
tert-butyl 1,4-dihydropyrazolo[4,5-c]quinoline-5-carboxylate
CID 11380239
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 53253789

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate?
The IUPAC name of tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate (CID 58274799) is tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate.
What is the SMILES notation for tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate?
The canonical SMILES for tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate is CC(C)(C)OC(=O)N1CC(CCO[Si](C)(C)C(C)(C)C)/C(=N\N)c2ccccc21.
What is the InChIKey of tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate?
The InChIKey is WXGPMVGECPPMQI-LYBHJNIJSA-N. The full InChI is InChI=1S/C22H37N3O3Si/c1-21(2,3)28-20(26)25-15-16(13-14-27-29(7,8)22(4,5)6)19(24-23)17-11-9-10-12-18(17)25/h9-12,16H,13-15,23H2,1-8H3/b24-19+.
What are the key properties of tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate?
tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate has a molecular weight of 419.64 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4E)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydrazinylidene-2,3-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 58274799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).