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

C21H23N3O3 — CID 51046709

IUPAC2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C21H23N3O3/c1-4-15(3)24-20(26)16-10-6-8-12-18(16)23(21(24)27)13-19(25)22-17-11-7-5-9-14(17)2/h5-12,15H,4,13H2,1-3H3,(H,22,25)
InChIKeyZUKQKFKHUDTGSE-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.08
Rot. Bonds5

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

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 51046709) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID51046709
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C21H23N3O3/c1-4-15(3)24-20(26)16-10-6-8-12-18(16)23(21(24)27)13-19(25)22-17-11-7-5-9-14(17)2/h5-12,15H,4,13H2,1-3H3,(H,22,25)
InChIKeyZUKQKFKHUDTGSE-UHFFFAOYSA-N
XLogP3.08
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.08
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-(2,5-difluorophenyl)acetamide
CID 51046736
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-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
N-[(2-bromophenyl)methyl]-2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)acetamide
CID 51046760
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
2-(3-cyclopentyl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 6619229
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-(2,4-dimethylphenyl)acetamide
CID 45030658
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide
CID 51046752

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide (CID 51046709) is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide is CCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O.
What is the InChIKey of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is ZUKQKFKHUDTGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-15(3)24-20(26)16-10-6-8-12-18(16)23(21(24)27)13-19(25)22-17-11-7-5-9-14(17)2/h5-12,15H,4,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide?
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.08, 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-methylphenyl)acetamide is sourced from PubChem (CID 51046709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).