2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one

C19H24ClFN2OSi — CID 172607439

IUPAC2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one
SMILESCC(C)[Si](C#Cc1c(F)ccc2nc(Cl)[nH]c(=O)c12)(C(C)C)C(C)C
InChIInChI=1S/C19H24ClFN2OSi/c1-11(2)25(12(3)4,13(5)6)10-9-14-15(21)7-8-16-17(14)18(24)23-19(20)22-16/h7-8,11-13H,1-6H3,(H,22,23,24)
InChIKeyQDYOVXMPTUEYPG-UHFFFAOYSA-N
MW378.95 g/mol
LogP5.29
Rot. Bonds3

About 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one

2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one (PubChem CID 172607439) has the molecular formula C19H24ClFN2OSi and a molecular weight of 378.95 g/mol. Its IUPAC name is 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one
PubChem CID172607439
Molecular FormulaC19H24ClFN2OSi
Molecular Weight378.95 g/mol
Exact Mass378.13
IUPAC Name2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one
SMILESCC(C)[Si](C#Cc1c(F)ccc2nc(Cl)[nH]c(=O)c12)(C(C)C)C(C)C
InChIInChI=1S/C19H24ClFN2OSi/c1-11(2)25(12(3)4,13(5)6)10-9-14-15(21)7-8-16-17(14)18(24)23-19(20)22-16/h7-8,11-13H,1-6H3,(H,22,23,24)
InChIKeyQDYOVXMPTUEYPG-UHFFFAOYSA-N
XLogP5.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.95
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one 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-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one?
The IUPAC name of 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one (CID 172607439) is 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one is CC(C)[Si](C#Cc1c(F)ccc2nc(Cl)[nH]c(=O)c12)(C(C)C)C(C)C.
What is the InChIKey of 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one?
The InChIKey is QDYOVXMPTUEYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2OSi/c1-11(2)25(12(3)4,13(5)6)10-9-14-15(21)7-8-16-17(14)18(24)23-19(20)22-16/h7-8,11-13H,1-6H3,(H,22,23,24).
What are the key properties of 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one?
2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one has a molecular weight of 378.95 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]-3H-quinazolin-4-one is sourced from PubChem (CID 172607439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).