tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate

C24H37N3O5Si — CID 18433610

IUPACtert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCO)C(=O)Nc1cccc2ncc(O[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C24H37N3O5Si/c1-23(2,3)31-22(30)27-20(12-13-28)21(29)26-19-11-9-10-18-17(19)14-16(15-25-18)32-33(7,8)24(4,5)6/h9-11,14-15,20,28H,12-13H2,1-8H3,(H,26,29)(H,27,30)
InChIKeyBGPMQDOTIHPQJG-UHFFFAOYSA-N
MW475.66 g/mol
LogP4.83
Rot. Bonds7

About tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate (PubChem CID 18433610) has the molecular formula C24H37N3O5Si and a molecular weight of 475.66 g/mol. Its IUPAC name is tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate
PubChem CID18433610
Molecular FormulaC24H37N3O5Si
Molecular Weight475.66 g/mol
Exact Mass475.25
IUPAC Nametert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCO)C(=O)Nc1cccc2ncc(O[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C24H37N3O5Si/c1-23(2,3)31-22(30)27-20(12-13-28)21(29)26-19-11-9-10-18-17(19)14-16(15-25-18)32-33(7,8)24(4,5)6/h9-11,14-15,20,28H,12-13H2,1-8H3,(H,26,29)(H,27,30)
InChIKeyBGPMQDOTIHPQJG-UHFFFAOYSA-N
XLogP4.83
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]amino]-1-oxo-4-sulfanylbutan-2-yl]carbamate
CID 18433593
[(3S)-4-[[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]-dimethylsulfanium
CID 11006784
tert-butyl N-[(2S)-1-(2-fluoro-4-methylanilino)-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 142974608
tert-butyl N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]carbamate
CID 21341518
tert-butyl N-[(2S)-1-[[1-[2-(2,2-dimethoxyethyl)anilino]-5,5-dimethoxy-1-oxopentan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 118478153
tert-butyl N-[1-(2-fluoro-4-nitroanilino)-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 174463256
tert-butyl N-[(2S)-1-[[1-[2-(2,2-dimethoxyethyl)anilino]-5-hydroxy-5-methoxy-1-oxopentan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 90201963
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 144676019
methyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10597663
tert-butyl (2S)-3-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174063870
tert-butyl N-[(2R)-4-amino-1-(2-aminoanilino)-1,4-dioxobutan-2-yl]carbamate
CID 162387350
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(quinolin-3-ylamino)heptyl]boronic acid
CID 42637149

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate (CID 18433610) is tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CCO)C(=O)Nc1cccc2ncc(O[Si](C)(C)C(C)(C)C)cc12.
What is the InChIKey of tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate?
The InChIKey is BGPMQDOTIHPQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5Si/c1-23(2,3)31-22(30)27-20(12-13-28)21(29)26-19-11-9-10-18-17(19)14-16(15-25-18)32-33(7,8)24(4,5)6/h9-11,14-15,20,28H,12-13H2,1-8H3,(H,26,29)(H,27,30).
What are the key properties of tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate has a molecular weight of 475.66 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[3-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 18433610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).