2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

C40H42ClN3O3Si — CID 131746464

IUPAC2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(C3=CC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)cc2c1=O
InChIInChI=1S/C40H42ClN3O3Si/c1-27(2)42-37(45)25-44-38(30-13-12-14-32(41)23-30)43-36-20-19-29(24-35(36)39(44)46)31-21-28(22-31)26-47-48(40(3,4)5,33-15-8-6-9-16-33)34-17-10-7-11-18-34/h6-21,23-24,27-28H,22,25-26H2,1-5H3,(H,42,45)
InChIKeyCLUKQIPLKGUCFT-UHFFFAOYSA-N
MW676.33 g/mol
LogP7.22
Rot. Bonds10

About 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 131746464) has the molecular formula C40H42ClN3O3Si and a molecular weight of 676.33 g/mol. Its IUPAC name is 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID131746464
Molecular FormulaC40H42ClN3O3Si
Molecular Weight676.33 g/mol
Exact Mass675.27
IUPAC Name2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(C3=CC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)cc2c1=O
InChIInChI=1S/C40H42ClN3O3Si/c1-27(2)42-37(45)25-44-38(30-13-12-14-32(41)23-30)43-36-20-19-29(24-35(36)39(44)46)31-21-28(22-31)26-47-48(40(3,4)5,33-15-8-6-9-16-33)34-17-10-7-11-18-34/h6-21,23-24,27-28H,22,25-26H2,1-5H3,(H,42,45)
InChIKeyCLUKQIPLKGUCFT-UHFFFAOYSA-N
XLogP7.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.33
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide 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 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (CID 131746464) is 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(C3=CC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)cc2c1=O.
What is the InChIKey of 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is CLUKQIPLKGUCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42ClN3O3Si/c1-27(2)42-37(45)25-44-38(30-13-12-14-32(41)23-30)43-36-20-19-29(24-35(36)39(44)46)31-21-28(22-31)26-47-48(40(3,4)5,33-15-8-6-9-16-33)34-17-10-7-11-18-34/h6-21,23-24,27-28H,22,25-26H2,1-5H3,(H,42,45).
What are the key properties of 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 676.33 g/mol, XLogP of 7.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobuten-1-yl]-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 131746464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).