6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide

C24H31FN4O3Si — CID 168757189

IUPAC6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc(F)cn2)cc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C24H31FN4O3Si/c1-24(2,3)33(5,6)32-12-11-26-18-8-9-20-16(13-18)14-19(23(31)29(20)4)22(30)28-21-10-7-17(25)15-27-21/h7-10,13-15,26H,11-12H2,1-6H3,(H,27,28,30)
InChIKeyWXTLOOCONLGQGL-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.76
Rot. Bonds7

About 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide

6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 168757189) has the molecular formula C24H31FN4O3Si and a molecular weight of 470.62 g/mol. Its IUPAC name is 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID168757189
Molecular FormulaC24H31FN4O3Si
Molecular Weight470.62 g/mol
Exact Mass470.21
IUPAC Name6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc(F)cn2)cc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C24H31FN4O3Si/c1-24(2,3)33(5,6)32-12-11-26-18-8-9-20-16(13-18)14-19(23(31)29(20)4)22(30)28-21-10-7-17(25)15-27-21/h7-10,13-15,26H,11-12H2,1-6H3,(H,27,28,30)
InChIKeyWXTLOOCONLGQGL-UHFFFAOYSA-N
XLogP4.76
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 168757198
5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 167510722
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 131734776
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 167510736
N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
CID 90046433
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylaniline
CID 144516245
5-acetamido-1-ethyl-N-[5-(methoxyamino)-2-pyridinyl]indole-2-carboxamide
CID 142226306
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065

Frequently Asked Questions

What is the IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 168757189) is 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ccc(F)cn2)cc2cc(NCCO[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is WXTLOOCONLGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3Si/c1-24(2,3)33(5,6)32-12-11-26-18-8-9-20-16(13-18)14-19(23(31)29(20)4)22(30)28-21-10-7-17(25)15-27-21/h7-10,13-15,26H,11-12H2,1-6H3,(H,27,28,30).
What are the key properties of 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 168757189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).