ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate

C12H16N2O4 — CID 10729473

IUPACethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C12H16N2O4/c1-2-18-10(15)7-14-11(16)8-5-3-4-6-9(8)13-12(14)17/h2-7H2,1H3,(H,13,17)
InChIKeyZLNCRXDOQBZLPW-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.02
Rot. Bonds3

About ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate

ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate (PubChem CID 10729473) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate
PubChem CID10729473
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C12H16N2O4/c1-2-18-10(15)7-14-11(16)8-5-3-4-6-9(8)13-12(14)17/h2-7H2,1H3,(H,13,17)
InChIKeyZLNCRXDOQBZLPW-UHFFFAOYSA-N
XLogP-0.02
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate (CID 10729473) is ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate is CCOC(=O)Cn1c(=O)[nH]c2c(c1=O)CCCC2.
What is the InChIKey of ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate?
The InChIKey is ZLNCRXDOQBZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-18-10(15)7-14-11(16)8-5-3-4-6-9(8)13-12(14)17/h2-7H2,1H3,(H,13,17).
What are the key properties of ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate?
ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate has a molecular weight of 252.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazolin-3-yl)acetate is sourced from PubChem (CID 10729473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).