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

C20H19F2N3O3 — CID 45030691

IUPAC2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
SMILESCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C20H19F2N3O3/c1-2-3-10-24-19(27)14-6-4-5-7-17(14)25(20(24)28)12-18(26)23-13-8-9-15(21)16(22)11-13/h4-9,11H,2-3,10,12H2,1H3,(H,23,26)
InChIKeyRWOFYOAIRPUBHO-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.88
Rot. Bonds6

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

2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 45030691) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
PubChem CID45030691
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
SMILESCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C20H19F2N3O3/c1-2-3-10-24-19(27)14-6-4-5-7-17(14)25(20(24)28)12-18(26)23-13-8-9-15(21)16(22)11-13/h4-9,11H,2-3,10,12H2,1H3,(H,23,26)
InChIKeyRWOFYOAIRPUBHO-UHFFFAOYSA-N
XLogP2.88
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502293
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46925452
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
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030767
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 4006012
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide (CID 45030691) is 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide is CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is RWOFYOAIRPUBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-2-3-10-24-19(27)14-6-4-5-7-17(14)25(20(24)28)12-18(26)23-13-8-9-15(21)16(22)11-13/h4-9,11H,2-3,10,12H2,1H3,(H,23,26).
What are the key properties of 2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide?
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 387.39 g/mol, XLogP of 2.88, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 45030691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).