4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol

C30H43N3O2Si — CID 157431527

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4(O)CCC(O[Si](C)(C)C(C)(C)C)CC4)cc23)c1
InChIInChI=1S/C30H43N3O2Si/c1-20-10-9-11-23(18-20)21(2)31-28-26-19-24(12-13-27(26)32-22(3)33-28)30(34)16-14-25(15-17-30)35-36(7,8)29(4,5)6/h9-13,18-19,21,25,34H,14-17H2,1-8H3,(H,31,32,33)/t21-,25?,30?/m1/s1
InChIKeyBQPCSSYJICKUEP-ASHIEUMCSA-N
MW505.78 g/mol
LogP7.57
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol (PubChem CID 157431527) has the molecular formula C30H43N3O2Si and a molecular weight of 505.78 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol
PubChem CID157431527
Molecular FormulaC30H43N3O2Si
Molecular Weight505.78 g/mol
Exact Mass505.31
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4(O)CCC(O[Si](C)(C)C(C)(C)C)CC4)cc23)c1
InChIInChI=1S/C30H43N3O2Si/c1-20-10-9-11-23(18-20)21(2)31-28-26-19-24(12-13-27(26)32-22(3)33-28)30(34)16-14-25(15-17-30)35-36(7,8)29(4,5)6/h9-13,18-19,21,25,34H,14-17H2,1-8H3,(H,31,32,33)/t21-,25?,30?/m1/s1
InChIKeyBQPCSSYJICKUEP-ASHIEUMCSA-N
XLogP7.57
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.78
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol (CID 157431527) is 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol is Cc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4(O)CCC(O[Si](C)(C)C(C)(C)C)CC4)cc23)c1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol?
The InChIKey is BQPCSSYJICKUEP-ASHIEUMCSA-N. The full InChI is InChI=1S/C30H43N3O2Si/c1-20-10-9-11-23(18-20)21(2)31-28-26-19-24(12-13-27(26)32-22(3)33-28)30(34)16-14-25(15-17-30)35-36(7,8)29(4,5)6/h9-13,18-19,21,25,34H,14-17H2,1-8H3,(H,31,32,33)/t21-,25?,30?/m1/s1.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol has a molecular weight of 505.78 g/mol, XLogP of 7.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-[2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]cyclohexan-1-ol is sourced from PubChem (CID 157431527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).