1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one

C17H26N2O4Si — CID 68706195

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCN1C(=O)CCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C17H26N2O4Si/c1-17(2,3)24(4,5)23-12-11-18-14-7-6-8-15(19(21)22)13(14)9-10-16(18)20/h6-8H,9-12H2,1-5H3
InChIKeyWHHAYXSNOCJPMQ-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.90
Rot. Bonds5

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one (PubChem CID 68706195) has the molecular formula C17H26N2O4Si and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one
PubChem CID68706195
Molecular FormulaC17H26N2O4Si
Molecular Weight350.49 g/mol
Exact Mass350.17
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCN1C(=O)CCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C17H26N2O4Si/c1-17(2,3)24(4,5)23-12-11-18-14-7-6-8-15(19(21)22)13(14)9-10-16(18)20/h6-8H,9-12H2,1-5H3
InChIKeyWHHAYXSNOCJPMQ-UHFFFAOYSA-N
XLogP3.90
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-nitro-1,4-benzoxazin-3-one
CID 58653174
(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 124735581
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline
CID 59232424
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one
CID 66774191
3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione
CID 58719562
tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
CID 69073629
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one
CID 58721822
tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
CID 25232171
tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane
CID 58200284
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
CID 69453503

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one (CID 68706195) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one is CC(C)(C)[Si](C)(C)OCCN1C(=O)CCc2c1cccc2[N+](=O)[O-].
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one?
The InChIKey is WHHAYXSNOCJPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4Si/c1-17(2,3)24(4,5)23-12-11-18-14-7-6-8-15(19(21)22)13(14)9-10-16(18)20/h6-8H,9-12H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one has a molecular weight of 350.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68706195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).