ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate

C15H16N2O4 — CID 97035556

IUPACethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
SMILESC=CCn1c(=O)c2ccccc2n(CC(=O)OCC)c1=O
InChIInChI=1S/C15H16N2O4/c1-3-9-16-14(19)11-7-5-6-8-12(11)17(15(16)20)10-13(18)21-4-2/h3,5-8H,1,4,9-10H2,2H3
InChIKeyYWTHFCARGRMMSU-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.91
Rot. Bonds5

About ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate

ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate (PubChem CID 97035556) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
PubChem CID97035556
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Nameethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
SMILESC=CCn1c(=O)c2ccccc2n(CC(=O)OCC)c1=O
InChIInChI=1S/C15H16N2O4/c1-3-9-16-14(19)11-7-5-6-8-12(11)17(15(16)20)10-13(18)21-4-2/h3,5-8H,1,4,9-10H2,2H3
InChIKeyYWTHFCARGRMMSU-UHFFFAOYSA-N
XLogP0.91
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
ethyl 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]acetate
CID 14458954
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
CID 19838821
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
ethyl 6-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]hexanoate
CID 22449662
ethane;ethyl 2-(3-ethenylindol-1-yl)acetate
CID 145169068
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate (CID 97035556) is ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate is C=CCn1c(=O)c2ccccc2n(CC(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate?
The InChIKey is YWTHFCARGRMMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-9-16-14(19)11-7-5-6-8-12(11)17(15(16)20)10-13(18)21-4-2/h3,5-8H,1,4,9-10H2,2H3.
What are the key properties of ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate?
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate has a molecular weight of 288.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate is sourced from PubChem (CID 97035556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).