2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide

C20H19F2N3O3 — CID 51046736

IUPAC2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide
SMILESCCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O
InChIInChI=1S/C20H19F2N3O3/c1-3-12(2)25-19(27)14-6-4-5-7-17(14)24(20(25)28)11-18(26)23-16-10-13(21)8-9-15(16)22/h4-10,12H,3,11H2,1-2H3,(H,23,26)
InChIKeyJADMGYXXQRDPLI-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.05
Rot. Bonds5

About 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide (PubChem CID 51046736) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide
PubChem CID51046736
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide
SMILESCCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O
InChIInChI=1S/C20H19F2N3O3/c1-3-12(2)25-19(27)14-6-4-5-7-17(14)24(20(25)28)11-18(26)23-16-10-13(21)8-9-15(16)22/h4-10,12H,3,11H2,1-2H3,(H,23,26)
InChIKeyJADMGYXXQRDPLI-UHFFFAOYSA-N
XLogP3.05
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 51046709
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 51046705
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
CID 51046763
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide
CID 50763323
N-(5-fluoro-2-methylphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502454
N-butan-2-yl-3-[2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
CID 50836907
N-[(2-bromophenyl)methyl]-2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)acetamide
CID 51046760
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
(2S)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 8727062
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46857122
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide (CID 51046736) is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide is CCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O.
What is the InChIKey of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide?
The InChIKey is JADMGYXXQRDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-3-12(2)25-19(27)14-6-4-5-7-17(14)24(20(25)28)11-18(26)23-16-10-13(21)8-9-15(16)22/h4-10,12H,3,11H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide?
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide has a molecular weight of 387.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 51046736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).