N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide

C22H28N2O3Si2 — CID 171360559

IUPACN-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide
SMILESC[Si](C)(C)c1cc([Si](C)(C)C)c(NC(=O)C2C=Nc3ccccc3C2=O)cc1O
InChIInChI=1S/C22H28N2O3Si2/c1-28(2,3)19-12-20(29(4,5)6)18(25)11-17(19)24-22(27)15-13-23-16-10-8-7-9-14(16)21(15)26/h7-13,15,25H,1-6H3,(H,24,27)
InChIKeyUEVRLFRWCSFPGU-UHFFFAOYSA-N
MW424.65 g/mol
LogP3.64
Rot. Bonds4

About N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide

N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide (PubChem CID 171360559) has the molecular formula C22H28N2O3Si2 and a molecular weight of 424.65 g/mol. Its IUPAC name is N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide
PubChem CID171360559
Molecular FormulaC22H28N2O3Si2
Molecular Weight424.65 g/mol
Exact Mass424.16
IUPAC NameN-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide
SMILESC[Si](C)(C)c1cc([Si](C)(C)C)c(NC(=O)C2C=Nc3ccccc3C2=O)cc1O
InChIInChI=1S/C22H28N2O3Si2/c1-28(2,3)19-12-20(29(4,5)6)18(25)11-17(19)24-22(27)15-13-23-16-10-8-7-9-14(16)21(15)26/h7-13,15,25H,1-6H3,(H,24,27)
InChIKeyUEVRLFRWCSFPGU-UHFFFAOYSA-N
XLogP3.64
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.65
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide?
The IUPAC name of N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide (CID 171360559) is N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide.
What is the SMILES notation for N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide?
The canonical SMILES for N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide is C[Si](C)(C)c1cc([Si](C)(C)C)c(NC(=O)C2C=Nc3ccccc3C2=O)cc1O.
What is the InChIKey of N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide?
The InChIKey is UEVRLFRWCSFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3Si2/c1-28(2,3)19-12-20(29(4,5)6)18(25)11-17(19)24-22(27)15-13-23-16-10-8-7-9-14(16)21(15)26/h7-13,15,25H,1-6H3,(H,24,27).
What are the key properties of N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide?
N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide has a molecular weight of 424.65 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide is sourced from PubChem (CID 171360559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).