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

C25H22FN3O3 — CID 46857126

IUPAC2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c1
InChIInChI=1S/C25H22FN3O3/c1-15-10-16(2)12-19(11-15)29-24(31)20-6-4-5-7-22(20)28(25(29)32)14-23(30)27-18-9-8-17(3)21(26)13-18/h4-13H,14H2,1-3H3,(H,27,30)
InChIKeyHVEUXMWKIKGVDR-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.86
Rot. Bonds4

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

2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 46857126) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID46857126
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c1
InChIInChI=1S/C25H22FN3O3/c1-15-10-16(2)12-19(11-15)29-24(31)20-6-4-5-7-22(20)28(25(29)32)14-23(30)27-18-9-8-17(3)21(26)13-18/h4-13H,14H2,1-3H3,(H,27,30)
InChIKeyHVEUXMWKIKGVDR-UHFFFAOYSA-N
XLogP3.86
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.86
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-(2-fluorophenyl)acetamide
CID 46857122
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46925452
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
3-(3,5-dimethylphenyl)-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]quinazoline-2,4-dione
CID 164962152
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95917137
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429472
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
2-[4-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(3-methylbutyl)acetamide
CID 50763139

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 46857126) is 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c1.
What is the InChIKey of 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is HVEUXMWKIKGVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-15-10-16(2)12-19(11-15)29-24(31)20-6-4-5-7-22(20)28(25(29)32)14-23(30)27-18-9-8-17(3)21(26)13-18/h4-13H,14H2,1-3H3,(H,27,30).
What are the key properties of 2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 431.47 g/mol, XLogP of 3.86, 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 46857126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).