2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone

C21H18N4O — CID 160792119

IUPAC2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone
SMILES[2H]C([2H])([2H])c1ccc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)cc1
InChIInChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)20(26)10-21-23-11-17-8-7-16(9-18(17)24-21)19-12-22-13-25(19)2/h3-9,11-13H,10H2,1-2H3/i1D3
InChIKeySBYROOIXLLDBJZ-FIBGUPNXSA-N
MW345.42 g/mol
LogP3.76
Rot. Bonds5

About 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone

2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone (PubChem CID 160792119) has the molecular formula C21H18N4O and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone
PubChem CID160792119
Molecular FormulaC21H18N4O
Molecular Weight345.42 g/mol
Exact Mass345.17
IUPAC Name2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone
SMILES[2H]C([2H])([2H])c1ccc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)cc1
InChIInChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)20(26)10-21-23-11-17-8-7-16(9-18(17)24-21)19-12-22-13-25(19)2/h3-9,11-13H,10H2,1-2H3/i1D3
InChIKeySBYROOIXLLDBJZ-FIBGUPNXSA-N
XLogP3.76
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone 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-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone?
The IUPAC name of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone (CID 160792119) is 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone.
What is the SMILES notation for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone?
The canonical SMILES for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone is [2H]C([2H])([2H])c1ccc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)cc1.
What is the InChIKey of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone?
The InChIKey is SBYROOIXLLDBJZ-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)20(26)10-21-23-11-17-8-7-16(9-18(17)24-21)19-12-22-13-25(19)2/h3-9,11-13H,10H2,1-2H3/i1D3.
What are the key properties of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone?
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone has a molecular weight of 345.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone is sourced from PubChem (CID 160792119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).