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

C17H23N3O3 — CID 51046763

IUPAC2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)n(C(C)CC)c(=O)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-4-10-18-15(21)11-19-14-9-7-6-8-13(14)16(22)20(17(19)23)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyNWBXNUCOLZYGDG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.66
Rot. Bonds6

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

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide (PubChem CID 51046763) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
PubChem CID51046763
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)n(C(C)CC)c(=O)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-4-10-18-15(21)11-19-14-9-7-6-8-13(14)16(22)20(17(19)23)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyNWBXNUCOLZYGDG-UHFFFAOYSA-N
XLogP1.66
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-bromophenyl)methyl]-2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)acetamide
CID 51046760
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-(2,5-difluorophenyl)acetamide
CID 51046736
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide
CID 51046752
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50763075
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
CID 51046744
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
2-[3-[9-(3-bicyclo[3.3.1]nonanyl)-9-azabicyclo[3.3.1]nonan-3-yl]-2,4-dioxoquinazolin-1-yl]-N-propylacetamide
CID 123242688
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide (CID 51046763) is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(=O)n(C(C)CC)c(=O)c2ccccc21.
What is the InChIKey of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide?
The InChIKey is NWBXNUCOLZYGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-10-18-15(21)11-19-14-9-7-6-8-13(14)16(22)20(17(19)23)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide?
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide has a molecular weight of 317.39 g/mol, XLogP of 1.66, 6 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-propylacetamide is sourced from PubChem (CID 51046763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).