tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline

C52H73ClN4O4Si2 — CID 159619273

IUPACtert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline
SMILESCC(C)(C)[Si](C)(C)OCCCCc1ccc(CCO)cc1.CC(C)(C)[Si](C)(C)OCCCCc1ccc(CCOc2ncnc3ccccc23)cc1.Clc1ncnc2ccccc12
InChIInChI=1S/C26H36N2O2Si.C18H32O2Si.C8H5ClN2/c1-26(2,3)31(4,5)30-18-9-8-10-21-13-15-22(16-14-21)17-19-29-25-23-11-6-7-12-24(23)27-20-28-25;1-18(2,3)21(4,5)20-15-7-6-8-16-9-11-17(12-10-16)13-14-19;9-8-6-3-1-2-4-7(6)10-5-11-8/h6-7,11-16,20H,8-10,17-19H2,1-5H3;9-12,19H,6-8,13-15H2,1-5H3;1-5H
InChIKeyMNRMUGBXCBJKGT-UHFFFAOYSA-N
MW909.81 g/mol
LogP13.44
Rot. Bonds18

About tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline

tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline (PubChem CID 159619273) has the molecular formula C52H73ClN4O4Si2 and a molecular weight of 909.81 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline
PubChem CID159619273
Molecular FormulaC52H73ClN4O4Si2
Molecular Weight909.81 g/mol
Exact Mass908.49
IUPAC Nametert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline
SMILESCC(C)(C)[Si](C)(C)OCCCCc1ccc(CCO)cc1.CC(C)(C)[Si](C)(C)OCCCCc1ccc(CCOc2ncnc3ccccc23)cc1.Clc1ncnc2ccccc12
InChIInChI=1S/C26H36N2O2Si.C18H32O2Si.C8H5ClN2/c1-26(2,3)31(4,5)30-18-9-8-10-21-13-15-22(16-14-21)17-19-29-25-23-11-6-7-12-24(23)27-20-28-25;1-18(2,3)21(4,5)20-15-7-6-8-16-9-11-17(12-10-16)13-14-19;9-8-6-3-1-2-4-7(6)10-5-11-8/h6-7,11-16,20H,8-10,17-19H2,1-5H3;9-12,19H,6-8,13-15H2,1-5H3;1-5H
InChIKeyMNRMUGBXCBJKGT-UHFFFAOYSA-N
XLogP13.44
TPSA99.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.81
LogP ≤ 513.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline?
The IUPAC name of tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline (CID 159619273) is tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline.
What is the SMILES notation for tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline?
The canonical SMILES for tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline is CC(C)(C)[Si](C)(C)OCCCCc1ccc(CCO)cc1.CC(C)(C)[Si](C)(C)OCCCCc1ccc(CCOc2ncnc3ccccc23)cc1.Clc1ncnc2ccccc12.
What is the InChIKey of tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline?
The InChIKey is MNRMUGBXCBJKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2Si.C18H32O2Si.C8H5ClN2/c1-26(2,3)31(4,5)30-18-9-8-10-21-13-15-22(16-14-21)17-19-29-25-23-11-6-7-12-24(23)27-20-28-25;1-18(2,3)21(4,5)20-15-7-6-8-16-9-11-17(12-10-16)13-14-19;9-8-6-3-1-2-4-7(6)10-5-11-8/h6-7,11-16,20H,8-10,17-19H2,1-5H3;9-12,19H,6-8,13-15H2,1-5H3;1-5H.
What are the key properties of tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline?
tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline has a molecular weight of 909.81 g/mol, XLogP of 13.44, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline is sourced from PubChem (CID 159619273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).