2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide

C24H20FN3O3 — CID 46857122

IUPAC2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)c1
InChIInChI=1S/C24H20FN3O3/c1-15-11-16(2)13-17(12-15)28-23(30)18-7-3-6-10-21(18)27(24(28)31)14-22(29)26-20-9-5-4-8-19(20)25/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyWKWBYHKPGQRUIF-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.55
Rot. Bonds4

About 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 46857122) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID46857122
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)c1
InChIInChI=1S/C24H20FN3O3/c1-15-11-16(2)13-17(12-15)28-23(30)18-7-3-6-10-21(18)27(24(28)31)14-22(29)26-20-9-5-4-8-19(20)25/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyWKWBYHKPGQRUIF-UHFFFAOYSA-N
XLogP3.55
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46857126
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
N-(3-chloro-4-methoxyphenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857110
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
N-(2-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 4639629
3-(3,5-dimethylphenyl)-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]quinazoline-2,4-dione
CID 164962152
methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 15994277
2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide
CID 50763323
2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 30844892
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429472

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide (CID 46857122) is 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide is Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)c1.
What is the InChIKey of 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is WKWBYHKPGQRUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-15-11-16(2)13-17(12-15)28-23(30)18-7-3-6-10-21(18)27(24(28)31)14-22(29)26-20-9-5-4-8-19(20)25/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 417.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 46857122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).