6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

C25H33N3O3Si — CID 168757198

IUPAC6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccccc2)cc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C25H33N3O3Si/c1-25(2,3)32(5,6)31-15-14-26-20-12-13-22-18(16-20)17-21(24(30)28(22)4)23(29)27-19-10-8-7-9-11-19/h7-13,16-17,26H,14-15H2,1-6H3,(H,27,29)
InChIKeyQSLFJBRMNJJNKE-UHFFFAOYSA-N
MW451.64 g/mol
LogP5.22
Rot. Bonds7

About 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide

6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 168757198) has the molecular formula C25H33N3O3Si and a molecular weight of 451.64 g/mol. Its IUPAC name is 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID168757198
Molecular FormulaC25H33N3O3Si
Molecular Weight451.64 g/mol
Exact Mass451.23
IUPAC Name6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccccc2)cc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C25H33N3O3Si/c1-25(2,3)32(5,6)31-15-14-26-20-12-13-22-18(16-20)17-21(24(30)28(22)4)23(29)27-19-10-8-7-9-11-19/h7-13,16-17,26H,14-15H2,1-6H3,(H,27,29)
InChIKeyQSLFJBRMNJJNKE-UHFFFAOYSA-N
XLogP5.22
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.64
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 168757189
6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 174050130
5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 167510722
N-(4-ethenylphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 123866376
N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide
CID 59140524
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylaniline
CID 144516245
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethylaniline
CID 123497942
N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
CID 90046433
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate
CID 56959690
N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide
CID 142731575

Frequently Asked Questions

What is the IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 168757198) is 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ccccc2)cc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is QSLFJBRMNJJNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3Si/c1-25(2,3)32(5,6)31-15-14-26-20-12-13-22-18(16-20)17-21(24(30)28(22)4)23(29)27-19-10-8-7-9-11-19/h7-13,16-17,26H,14-15H2,1-6H3,(H,27,29).
What are the key properties of 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 451.64 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 168757198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).