[5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate

C18H26N2O4Si — CID 89266920

IUPAC[5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CN)c1ccc(OC=O)c2[nH]c(=O)ccc12
InChIInChI=1S/C18H26N2O4Si/c1-18(2,3)25(4,5)24-15(10-19)12-6-8-14(23-11-21)17-13(12)7-9-16(22)20-17/h6-9,11,15H,10,19H2,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyYYSATMSYRHBVHP-HNNXBMFYSA-N
MW362.50 g/mol
LogP3.08
Rot. Bonds6

About [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate

[5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate (PubChem CID 89266920) has the molecular formula C18H26N2O4Si and a molecular weight of 362.50 g/mol. Its IUPAC name is [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate.

Molecular Properties

Compound Name[5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate
PubChem CID89266920
Molecular FormulaC18H26N2O4Si
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name[5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CN)c1ccc(OC=O)c2[nH]c(=O)ccc12
InChIInChI=1S/C18H26N2O4Si/c1-18(2,3)25(4,5)24-15(10-19)12-6-8-14(23-11-21)17-13(12)7-9-16(22)20-17/h6-9,11,15H,10,19H2,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyYYSATMSYRHBVHP-HNNXBMFYSA-N
XLogP3.08
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3H-1,3-benzoxazol-2-one
CID 156775068
4-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]benzoic acid
CID 175041664
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175343725
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(piperidin-4-ylmethylamino)ethyl]-8-hydroxy-1H-quinolin-2-one
CID 145136094
5-[(1R)-2-[[2-[2-(4-aminophenyl)ethyl]phenyl]methylamino]-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 150786194
tert-butyl N-(3-aminopropyl)-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate
CID 154636752
5-[(1R)-2-[benzyl-[(1S)-1-chloropentyl]amino]-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 68616953
benzyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-N-[6-(2-phenylethylamino)hexyl]carbamate
CID 69233936
5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 122698087
5-(2-amino-1-phosphanyloxyethyl)-8-hydroxy-1H-quinolin-2-one
CID 90805801
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 164875331
3-[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexoxy]benzoic acid
CID 140855778

Frequently Asked Questions

What is the IUPAC name of [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate?
The IUPAC name of [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate (CID 89266920) is [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate.
What is the SMILES notation for [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate?
The canonical SMILES for [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate is CC(C)(C)[Si](C)(C)O[C@@H](CN)c1ccc(OC=O)c2[nH]c(=O)ccc12.
What is the InChIKey of [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate?
The InChIKey is YYSATMSYRHBVHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O4Si/c1-18(2,3)25(4,5)24-15(10-19)12-6-8-14(23-11-21)17-13(12)7-9-16(22)20-17/h6-9,11,15H,10,19H2,1-5H3,(H,20,22)/t15-/m0/s1.
What are the key properties of [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate?
[5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate has a molecular weight of 362.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1H-quinolin-8-yl] formate is sourced from PubChem (CID 89266920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).