trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane

C24H21N3Si — CID 174843590

IUPACtrimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1
InChIInChI=1S/C24H21N3Si/c1-28(2,3)13-11-18-6-4-7-20(14-18)24-22(8-5-12-26-24)19-9-10-23-21(15-19)16-25-17-27-23/h4-10,12,14-17H,1-3H3
InChIKeyJRCUBHRFYZGCPZ-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.59
Rot. Bonds2

About trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane

trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane (PubChem CID 174843590) has the molecular formula C24H21N3Si and a molecular weight of 379.54 g/mol. Its IUPAC name is trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane
PubChem CID174843590
Molecular FormulaC24H21N3Si
Molecular Weight379.54 g/mol
Exact Mass379.15
IUPAC Nametrimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1
InChIInChI=1S/C24H21N3Si/c1-28(2,3)13-11-18-6-4-7-20(14-18)24-22(8-5-12-26-24)19-9-10-23-21(15-19)16-25-17-27-23/h4-10,12,14-17H,1-3H3
InChIKeyJRCUBHRFYZGCPZ-UHFFFAOYSA-N
XLogP5.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[3-(3-pyridin-4-yl-2-pyridinyl)phenyl]ethynyl]silane
CID 141473212
4-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]morpholine
CID 174954030
6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline
CID 174843090
6-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazoline
CID 122534079
7-[2-(2-methylphenyl)-3-pyridinyl]quinazoline
CID 151094082
3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile
CID 139495116
6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90095667
2,4-diamino-6-[3-(2-trimethylsilylethynyl)phenyl]pyrimidine-5-carbonitrile
CID 169398364
trimethyl(2-quinolin-7-ylethynyl)silane
CID 18931459
CID 153431475
CID 153431475
6-[2-(3-ethynylphenyl)-3-pyridinyl]-2,3-dihydro-1,3-benzothiazole
CID 118448001
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane (CID 174843590) is trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.
What is the InChIKey of trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane?
The InChIKey is JRCUBHRFYZGCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3Si/c1-28(2,3)13-11-18-6-4-7-20(14-18)24-22(8-5-12-26-24)19-9-10-23-21(15-19)16-25-17-27-23/h4-10,12,14-17H,1-3H3.
What are the key properties of trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane?
trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane has a molecular weight of 379.54 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[3-(3-quinazolin-6-yl-2-pyridinyl)phenyl]ethynyl]silane is sourced from PubChem (CID 174843590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).