ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

C14H16N2O4 — CID 47149271

IUPACethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21
InChIInChI=1S/C14H16N2O4/c1-3-15-13(18)10-7-5-6-8-11(10)16(14(15)19)9-12(17)20-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyWJSHANXUFYUBHC-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.75
Rot. Bonds4

About ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (PubChem CID 47149271) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
PubChem CID47149271
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21
InChIInChI=1S/C14H16N2O4/c1-3-15-13(18)10-7-5-6-8-11(10)16(14(15)19)9-12(17)20-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyWJSHANXUFYUBHC-UHFFFAOYSA-N
XLogP0.75
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769
ethyl 2-[2,4-dioxo-3-(thiophen-2-ylmethyl)quinazolin-1-yl]acetate
CID 14458954
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
CID 19838821
ethyl 6-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27936027
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442967
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442868
ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
ethyl 6-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]hexanoate
CID 22449662

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (CID 47149271) is ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is CCOC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21.
What is the InChIKey of ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The InChIKey is WJSHANXUFYUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-15-13(18)10-7-5-6-8-11(10)16(14(15)19)9-12(17)20-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate has a molecular weight of 276.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is sourced from PubChem (CID 47149271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).