methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate

C17H14N2O4 — CID 68753294

IUPACmethyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14N2O4/c1-23-16(21)14(11-7-3-2-4-8-11)19-15(20)12-9-5-6-10-13(12)18-17(19)22/h2-10,14H,1H3,(H,18,22)
InChIKeyYDVJUKJSODSLLM-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.45
Rot. Bonds3

About methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate

methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate (PubChem CID 68753294) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate
PubChem CID68753294
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14N2O4/c1-23-16(21)14(11-7-3-2-4-8-11)19-15(20)12-9-5-6-10-13(12)18-17(19)22/h2-10,14H,1H3,(H,18,22)
InChIKeyYDVJUKJSODSLLM-UHFFFAOYSA-N
XLogP1.45
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate?
The IUPAC name of methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate (CID 68753294) is methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate?
The canonical SMILES for methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate is COC(=O)C(c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate?
The InChIKey is YDVJUKJSODSLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-16(21)14(11-7-3-2-4-8-11)19-15(20)12-9-5-6-10-13(12)18-17(19)22/h2-10,14H,1H3,(H,18,22).
What are the key properties of methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate?
methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate has a molecular weight of 310.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)-2-phenylacetate is sourced from PubChem (CID 68753294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).