N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine

C21H23N3Si — CID 67890163

IUPACN-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine
SMILESC[Si](C)(C)c1ccc(C#CCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H23N3Si/c1-25(2,3)18-13-11-17(12-14-18)8-6-7-15-22-21-19-9-4-5-10-20(19)23-16-24-21/h4-5,9-14,16H,7,15H2,1-3H3,(H,22,23,24)
InChIKeyFZHSJCPOORSRGN-UHFFFAOYSA-N
MW345.52 g/mol
LogP4.03
Rot. Bonds4

About N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine

N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine (PubChem CID 67890163) has the molecular formula C21H23N3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine
PubChem CID67890163
Molecular FormulaC21H23N3Si
Molecular Weight345.52 g/mol
Exact Mass345.17
IUPAC NameN-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine
SMILESC[Si](C)(C)c1ccc(C#CCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H23N3Si/c1-25(2,3)18-13-11-17(12-14-18)8-6-7-15-22-21-19-9-4-5-10-20(19)23-16-24-21/h4-5,9-14,16H,7,15H2,1-3H3,(H,22,23,24)
InChIKeyFZHSJCPOORSRGN-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine
CID 67890191
N-[4-(4-butylphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890159
N-[4-[4-(methylsulfonylmethyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 146918873
N-[4-(3,4-dichlorophenyl)but-3-ynyl]quinazolin-4-amine
CID 67890203
N-[4-[4-(4-heptylphenyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 140582895
[3-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]methanol
CID 67604958
N-[4-(2-methoxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890166
N-[4-[2-(methoxymethyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 67604240
N-[4-(cyclohexen-1-yl)but-3-ynyl]quinazolin-4-amine
CID 67604435
N-[4-(2,3-dichlorophenyl)but-3-ynyl]quinazolin-4-amine
CID 67890201
N-[4-(2-propan-2-yloxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67601884
N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide
CID 67890192

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine?
The IUPAC name of N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine (CID 67890163) is N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine?
The canonical SMILES for N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine is C[Si](C)(C)c1ccc(C#CCCNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine?
The InChIKey is FZHSJCPOORSRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3Si/c1-25(2,3)18-13-11-17(12-14-18)8-6-7-15-22-21-19-9-4-5-10-20(19)23-16-24-21/h4-5,9-14,16H,7,15H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine?
N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine has a molecular weight of 345.52 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine is sourced from PubChem (CID 67890163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).