2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide

C15H17N3O3 — CID 9400092

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-3-9-16-13(19)10-18-12-8-6-5-7-11(12)14(20)17(4-2)15(18)21/h3,5-8H,1,4,9-10H2,2H3,(H,16,19)
InChIKeyOKINQMHVPMJTEG-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.49
Rot. Bonds5

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide (PubChem CID 9400092) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
PubChem CID9400092
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-3-9-16-13(19)10-18-12-8-6-5-7-11(12)14(20)17(4-2)15(18)21/h3,5-8H,1,4,9-10H2,2H3,(H,16,19)
InChIKeyOKINQMHVPMJTEG-UHFFFAOYSA-N
XLogP0.49
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55812305
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55900388
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
CID 55782744
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26660566
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 9490192
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 17395792
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide (CID 9400092) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is OKINQMHVPMJTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-9-16-13(19)10-18-12-8-6-5-7-11(12)14(20)17(4-2)15(18)21/h3,5-8H,1,4,9-10H2,2H3,(H,16,19).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 287.32 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 9400092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).