8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine

C28H38FN3O2SSi — CID 169088957

IUPAC8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine
SMILESCSCc1cccc(Nc2ncc3ccc(F)c(OC4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3n2)c1
InChIInChI=1S/C28H38FN3O2SSi/c1-28(2,3)36(5,6)34-23-13-11-22(12-14-23)33-26-24(29)15-10-20-17-30-27(32-25(20)26)31-21-9-7-8-19(16-21)18-35-4/h7-10,15-17,22-23H,11-14,18H2,1-6H3,(H,30,31,32)
InChIKeyWFOHRKZXXKPMKW-UHFFFAOYSA-N
MW527.78 g/mol
LogP8.09
Rot. Bonds8

About 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine

8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine (PubChem CID 169088957) has the molecular formula C28H38FN3O2SSi and a molecular weight of 527.78 g/mol. Its IUPAC name is 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound Name8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine
PubChem CID169088957
Molecular FormulaC28H38FN3O2SSi
Molecular Weight527.78 g/mol
Exact Mass527.24
IUPAC Name8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine
SMILESCSCc1cccc(Nc2ncc3ccc(F)c(OC4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3n2)c1
InChIInChI=1S/C28H38FN3O2SSi/c1-28(2,3)36(5,6)34-23-13-11-22(12-14-23)33-26-24(29)15-10-20-17-30-27(32-25(20)26)31-21-9-7-8-19(16-21)18-35-4/h7-10,15-17,22-23H,11-14,18H2,1-6H3,(H,30,31,32)
InChIKeyWFOHRKZXXKPMKW-UHFFFAOYSA-N
XLogP8.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.78
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine with MolForge

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Related Compounds

4-[2-[(7-Fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513535
4-[7-Fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513551
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide
CID 134433614
N-[4-(3-fluoropropyl)cyclohexyl]-8-(oxan-4-yloxy)quinazolin-2-amine
CID 58082433
N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine
CID 58082598
2-Benzylsulfanyl-6-(4-fluorophenoxy)quinazolin-7-amine
CID 58787193
trans-N-(2-fluoroethyl)-N'-[8-(tetrahydro-2H-pyran-4-yloxy)quinazolin-2-yl]cyclohexane-1,4-diamine
CID 59224416
N-(3-fluorophenyl)-5-methyl-8-piperidin-4-yloxyquinazolin-2-amine
CID 67101729
8-cyclopentyloxy-N-[(2,5-difluorophenyl)methyl]quinazolin-2-amine
CID 67101905
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-(3,5-difluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67102049
N-[4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-8-piperidin-4-yloxyquinazolin-2-amine
CID 67102145

Frequently Asked Questions

What is the IUPAC name of 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine?
The IUPAC name of 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine (CID 169088957) is 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine.
What is the SMILES notation for 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine?
The canonical SMILES for 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine is CSCc1cccc(Nc2ncc3ccc(F)c(OC4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3n2)c1.
What is the InChIKey of 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine?
The InChIKey is WFOHRKZXXKPMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN3O2SSi/c1-28(2,3)36(5,6)34-23-13-11-22(12-14-23)33-26-24(29)15-10-20-17-30-27(32-25(20)26)31-21-9-7-8-19(16-21)18-35-4/h7-10,15-17,22-23H,11-14,18H2,1-6H3,(H,30,31,32).
What are the key properties of 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine?
8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine has a molecular weight of 527.78 g/mol, XLogP of 8.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[3-(methylsulfanylmethyl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 169088957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).