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

C25H31N3O3Si — CID 174050130

IUPAC6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccccc2)cc2cc(NCC(=O)[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C25H31N3O3Si/c1-25(2,3)32(5,6)22(29)16-26-19-12-13-21-17(14-19)15-20(24(31)28(21)4)23(30)27-18-10-8-7-9-11-18/h7-15,26H,16H2,1-6H3,(H,27,30)
InChIKeyGKBJIJRMTOJVDQ-UHFFFAOYSA-N
MW449.63 g/mol
LogP4.82
Rot. Bonds6

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

6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 174050130) has the molecular formula C25H31N3O3Si and a molecular weight of 449.63 g/mol. Its IUPAC name is 6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID174050130
Molecular FormulaC25H31N3O3Si
Molecular Weight449.63 g/mol
Exact Mass449.21
IUPAC Name6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccccc2)cc2cc(NCC(=O)[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C25H31N3O3Si/c1-25(2,3)32(5,6)22(29)16-26-19-12-13-21-17(14-19)15-20(24(31)28(21)4)23(30)27-18-10-8-7-9-11-18/h7-15,26H,16H2,1-6H3,(H,27,30)
InChIKeyGKBJIJRMTOJVDQ-UHFFFAOYSA-N
XLogP4.82
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.63
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 168757198
6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 168757189
N-(4-ethenylphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 123866376
N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide
CID 142731575
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 134713157
5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 47072560
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
N-(1,3-dimethyl-2-oxoquinolin-6-yl)-3,4-dihydro-1H-isochromene-5-carboxamide
CID 166336635

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 174050130) is 6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ccccc2)cc2cc(NCC(=O)[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of 6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is GKBJIJRMTOJVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3Si/c1-25(2,3)32(5,6)22(29)16-26-19-12-13-21-17(14-19)15-20(24(31)28(21)4)23(30)27-18-10-8-7-9-11-18/h7-15,26H,16H2,1-6H3,(H,27,30).
What are the key properties of 6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide?
6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 449.63 g/mol, XLogP of 4.82, 6 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]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 174050130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).