tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane

C34H33ClF2N4OSi — CID 178153097

IUPACtert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)ncnc2c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H33ClF2N4OSi/c1-34(2,3)43(23-11-6-4-7-12-23,24-13-8-5-9-14-24)42-28-16-10-15-27(36)30(28)29-26(35)21-25-32(31(29)37)39-22-40-33(25)41-19-17-38-18-20-41/h4-16,21-22,38H,17-20H2,1-3H3
InChIKeyYYPSGLXAEOADEJ-UHFFFAOYSA-N
MW615.20 g/mol
LogP6.58
Rot. Bonds6

About tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane

tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane (PubChem CID 178153097) has the molecular formula C34H33ClF2N4OSi and a molecular weight of 615.20 g/mol. Its IUPAC name is tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane
PubChem CID178153097
Molecular FormulaC34H33ClF2N4OSi
Molecular Weight615.20 g/mol
Exact Mass614.21
IUPAC Nametert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)ncnc2c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H33ClF2N4OSi/c1-34(2,3)43(23-11-6-4-7-12-23,24-13-8-5-9-14-24)42-28-16-10-15-27(36)30(28)29-26(35)21-25-32(31(29)37)39-22-40-33(25)41-19-17-38-18-20-41/h4-16,21-22,38H,17-20H2,1-3H3
InChIKeyYYPSGLXAEOADEJ-UHFFFAOYSA-N
XLogP6.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.20
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane with MolForge

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Launch Full Analysis

Related Compounds

2-(bromomethyl)-1-[4-[7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-chloro-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 178152967
2-[6-chloro-8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinazolin-7-yl]-3-fluorophenol
CID 137082267
7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline
CID 123902748
tert-butyl 4-[6-chloro-8-fluoro-7-(2-methoxy-6-methylphenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 156527886
(3S)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 122602117
2-[6-chloro-8-fluoro-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]-4-piperazin-1-ylquinazolin-7-yl]-3-fluorophenol
CID 137252398
2-[6-chloro-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-8-fluoroquinazolin-7-yl]-3-fluorophenol
CID 157251670
tert-butyl (3R)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylate
CID 129227034
tert-butyl N-[2-[2-[2-[2-[2-[6-chloro-8-fluoro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166564782
[2-[6-chloro-8-fluoro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-3-fluorophenoxy]methyl dihydrogen phosphate
CID 122602064
2-[4-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-6-chloro-8-fluoroquinazolin-7-yl]-3-fluorophenol
CID 137218457
1-[4-[6-chloro-8-fluoro-7-(2-methoxy-6-methylphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118018865

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane (CID 178153097) is tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane is CC(C)(C)[Si](Oc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)ncnc2c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane?
The InChIKey is YYPSGLXAEOADEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClF2N4OSi/c1-34(2,3)43(23-11-6-4-7-12-23,24-13-8-5-9-14-24)42-28-16-10-15-27(36)30(28)29-26(35)21-25-32(31(29)37)39-22-40-33(25)41-19-17-38-18-20-41/h4-16,21-22,38H,17-20H2,1-3H3.
What are the key properties of tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane?
tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane has a molecular weight of 615.20 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(6-chloro-8-fluoro-4-piperazin-1-ylquinazolin-7-yl)-3-fluorophenoxy]-diphenylsilane is sourced from PubChem (CID 178153097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).