5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide

C23H30FN5O3Si — CID 167510722

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ncc(F)cn2)cc2c(NCCO[Si](C)(C)C(C)(C)C)cccc21
InChIInChI=1S/C23H30FN5O3Si/c1-23(2,3)33(5,6)32-11-10-25-18-8-7-9-19-16(18)12-17(21(31)29(19)4)20(30)28-22-26-13-15(24)14-27-22/h7-9,12-14,25H,10-11H2,1-6H3,(H,26,27,28,30)
InChIKeyIKTYWFNPWPJPLL-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.15
Rot. Bonds7

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide

5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 167510722) has the molecular formula C23H30FN5O3Si and a molecular weight of 471.61 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID167510722
Molecular FormulaC23H30FN5O3Si
Molecular Weight471.61 g/mol
Exact Mass471.21
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ncc(F)cn2)cc2c(NCCO[Si](C)(C)C(C)(C)C)cccc21
InChIInChI=1S/C23H30FN5O3Si/c1-23(2,3)33(5,6)32-11-10-25-18-8-7-9-19-16(18)12-17(21(31)29(19)4)20(30)28-22-26-13-15(24)14-27-22/h7-9,12-14,25H,10-11H2,1-6H3,(H,26,27,28,30)
InChIKeyIKTYWFNPWPJPLL-UHFFFAOYSA-N
XLogP4.15
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 168757198
7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 167510736
4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-N-(4-chlorophenyl)-1-methylpyrrole-3,4-dicarboxamide
CID 69228643
2-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 68671892
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
N-(2,4-difluorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619538
N-(2-ethoxyphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694536
N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
CID 90046433
6-[[2-[tert-butyl(dimethyl)silyl]-2-oxoethyl]amino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 174050130
N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide
CID 69233279

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 167510722) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ncc(F)cn2)cc2c(NCCO[Si](C)(C)C(C)(C)C)cccc21.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is IKTYWFNPWPJPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O3Si/c1-23(2,3)33(5,6)32-11-10-25-18-8-7-9-19-16(18)12-17(21(31)29(19)4)20(30)28-22-26-13-15(24)14-27-22/h7-9,12-14,25H,10-11H2,1-6H3,(H,26,27,28,30).
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 167510722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).