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

C27H37FN4O2SSi — CID 169088936

IUPAC8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine
SMILESCSCc1cc(Nc2ncc3ccc(F)c(OC4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3n2)ccn1
InChIInChI=1S/C27H37FN4O2SSi/c1-27(2,3)36(5,6)34-22-10-8-21(9-11-22)33-25-23(28)12-7-18-16-30-26(32-24(18)25)31-19-13-14-29-20(15-19)17-35-4/h7,12-16,21-22H,8-11,17H2,1-6H3,(H,29,30,31,32)
InChIKeyWXLFHRUJFKXODX-UHFFFAOYSA-N
MW528.77 g/mol
LogP7.48
Rot. Bonds8

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

8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine (PubChem CID 169088936) has the molecular formula C27H37FN4O2SSi and a molecular weight of 528.77 g/mol. Its IUPAC name is 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine.

Molecular Properties

Compound Name8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine
PubChem CID169088936
Molecular FormulaC27H37FN4O2SSi
Molecular Weight528.77 g/mol
Exact Mass528.24
IUPAC Name8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine
SMILESCSCc1cc(Nc2ncc3ccc(F)c(OC4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3n2)ccn1
InChIInChI=1S/C27H37FN4O2SSi/c1-27(2,3)36(5,6)34-22-10-8-21(9-11-22)33-25-23(28)12-7-18-16-30-26(32-24(18)25)31-19-13-14-29-20(15-19)17-35-4/h7,12-16,21-22H,8-11,17H2,1-6H3,(H,29,30,31,32)
InChIKeyWXLFHRUJFKXODX-UHFFFAOYSA-N
XLogP7.48
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.77
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

2-(2-Methyl-4-fluorophenylamino)-4-(N-methylphenylamino)-8-(3-morpholinopropoxy)quinazoline
CID 11755761
7-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-[4-fluoro-2-(1-pyridin-2-ylethoxy)phenyl]-5-methylquinazolin-4-amine
CID 117793144
7-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-[4-fluoro-2-(1-pyridin-4-ylethoxy)phenyl]-5-methylquinazolin-4-amine
CID 117793170
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
6-(Quinolin-8-yloxymethyl)-N-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1088063
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(quinolin-8-yloxymethyl)phenyl]acetamide
CID 134433614
4-(2-pyridinyl)-N-[2-(8-quinolinyloxy)ethyl]-2-pyrimidinamine
CID 74239449
[4-Amino-6-(8-quinolyloxymethyl)(1,3,5-triazin-2-yl)]phenylamine
CID 899251
4-N-benzyl-8-methoxy-2-N-pyridin-2-ylquinazoline-2,4-diamine
CID 89946488
4-[2-(Quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513546
4-[2-(Quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513559

Frequently Asked Questions

What is the IUPAC name of 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine?
The IUPAC name of 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine (CID 169088936) is 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine.
What is the SMILES notation for 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine?
The canonical SMILES for 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine is CSCc1cc(Nc2ncc3ccc(F)c(OC4CCC(O[Si](C)(C)C(C)(C)C)CC4)c3n2)ccn1.
What is the InChIKey of 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine?
The InChIKey is WXLFHRUJFKXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN4O2SSi/c1-27(2,3)36(5,6)34-22-10-8-21(9-11-22)33-25-23(28)12-7-18-16-30-26(32-24(18)25)31-19-13-14-29-20(15-19)17-35-4/h7,12-16,21-22H,8-11,17H2,1-6H3,(H,29,30,31,32).
What are the key properties of 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine?
8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine has a molecular weight of 528.77 g/mol, XLogP of 7.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-7-fluoro-N-[2-(methylsulfanylmethyl)-4-pyridinyl]quinazolin-2-amine is sourced from PubChem (CID 169088936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).