3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione

C17H21N3O3 — CID 4899772

IUPAC3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
SMILESCC(C)C(C(=O)N1CCCC1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-11(2)14(16(22)19-9-5-6-10-19)20-15(21)12-7-3-4-8-13(12)18-17(20)23/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,23)
InChIKeyLTRIWZNZCXUCTG-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.51
Rot. Bonds3

About 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione

3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 4899772) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
PubChem CID4899772
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
SMILESCC(C)C(C(=O)N1CCCC1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-11(2)14(16(22)19-9-5-6-10-19)20-15(21)12-7-3-4-8-13(12)18-17(20)23/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,23)
InChIKeyLTRIWZNZCXUCTG-UHFFFAOYSA-N
XLogP1.51
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182
3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
CID 4905275
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]propanoic acid
CID 4836848
N-(1H-benzimidazol-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4912276
3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
CID 4911305
(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 51427974
methyl 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoyl]amino]benzoate
CID 4838492
N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4904308
4-[1-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]benzoic acid
CID 66893674
(2S)-1-[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 51427997
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4909904
(2R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 51427958

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione (CID 4899772) is 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione is CC(C)C(C(=O)N1CCCC1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is LTRIWZNZCXUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)14(16(22)19-9-5-6-10-19)20-15(21)12-7-3-4-8-13(12)18-17(20)23/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,18,23).
What are the key properties of 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione?
3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4899772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).