5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one

C19H30N2O4Si — CID 11188119

IUPAC5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one
SMILESCOc1cc(C(CN)O[Si](C)(C)C(C)(C)C)c2c(=O)ccn(C)c2c1O
InChIInChI=1S/C19H30N2O4Si/c1-19(2,3)26(6,7)25-15(11-20)12-10-14(24-5)18(23)17-16(12)13(22)8-9-21(17)4/h8-10,15,23H,11,20H2,1-7H3
InChIKeyBXEFFDJSVCNKPJ-UHFFFAOYSA-N
MW378.55 g/mol
LogP3.27
Rot. Bonds5

About 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one

5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one (PubChem CID 11188119) has the molecular formula C19H30N2O4Si and a molecular weight of 378.55 g/mol. Its IUPAC name is 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one.

Molecular Properties

Compound Name5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one
PubChem CID11188119
Molecular FormulaC19H30N2O4Si
Molecular Weight378.55 g/mol
Exact Mass378.20
IUPAC Name5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one
SMILESCOc1cc(C(CN)O[Si](C)(C)C(C)(C)C)c2c(=O)ccn(C)c2c1O
InChIInChI=1S/C19H30N2O4Si/c1-19(2,3)26(6,7)25-15(11-20)12-10-14(24-5)18(23)17-16(12)13(22)8-9-21(17)4/h8-10,15,23H,11,20H2,1-7H3
InChIKeyBXEFFDJSVCNKPJ-UHFFFAOYSA-N
XLogP3.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-5,8-dimethoxynaphthalen-1-ol
CID 11329822
7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one
CID 156775068
[5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate
CID 89266920
4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol
CID 10550387
2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
CID 91743544
tert-butyl-[(3-methoxy-4-propan-2-ylphenyl)methoxy]-dimethylsilane
CID 174039904
1-amino-4-[tert-butyl(dimethyl)silyl]oxy-4-(3,4-dichlorophenyl)butan-2-ol
CID 70110091
2-[tert-butyl(dimethyl)silyl]oxy-2-(2,4,5-trimethoxyphenyl)acetonitrile
CID 11759533
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239
2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate
CID 91749312
3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377252
tert-butyl-[1-(2,5-dimethoxyphenyl)-2-nitropropoxy]-dimethylsilane
CID 53392573

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one?
The IUPAC name of 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one (CID 11188119) is 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one.
What is the SMILES notation for 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one?
The canonical SMILES for 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one is COc1cc(C(CN)O[Si](C)(C)C(C)(C)C)c2c(=O)ccn(C)c2c1O.
What is the InChIKey of 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one?
The InChIKey is BXEFFDJSVCNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4Si/c1-19(2,3)26(6,7)25-15(11-20)12-10-14(24-5)18(23)17-16(12)13(22)8-9-21(17)4/h8-10,15,23H,11,20H2,1-7H3.
What are the key properties of 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one?
5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one has a molecular weight of 378.55 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-7-methoxy-1-methylquinolin-4-one is sourced from PubChem (CID 11188119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).