2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide

C21H22FN3O3 — CID 45030686

IUPAC2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O
InChIInChI=1S/C21H22FN3O3/c1-3-4-11-24-20(27)16-7-5-6-8-18(16)25(21(24)28)13-19(26)23-17-10-9-15(22)12-14(17)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyXNWNOCNWJCFIJU-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.05
Rot. Bonds6

About 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide

2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 45030686) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
PubChem CID45030686
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O
InChIInChI=1S/C21H22FN3O3/c1-3-4-11-24-20(27)16-7-5-6-8-18(16)25(21(24)28)13-19(26)23-17-10-9-15(22)12-14(17)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyXNWNOCNWJCFIJU-UHFFFAOYSA-N
XLogP3.05
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
N-(5-fluoro-2-methylphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502454
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046805
N-[(2-chlorophenyl)methyl]-5-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429771
5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 50742864
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide (CID 45030686) is 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide is CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O.
What is the InChIKey of 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is XNWNOCNWJCFIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-3-4-11-24-20(27)16-7-5-6-8-18(16)25(21(24)28)13-19(26)23-17-10-9-15(22)12-14(17)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide?
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 383.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 45030686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).