ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate

C18H16N2O3 — CID 741296

IUPACethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
SMILESCCOC(=O)COc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N2O3/c1-2-22-16(21)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyAJNQFQRUQNNZRV-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.24
Rot. Bonds5

About ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate

ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate (PubChem CID 741296) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
PubChem CID741296
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
SMILESCCOC(=O)COc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N2O3/c1-2-22-16(21)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyAJNQFQRUQNNZRV-UHFFFAOYSA-N
XLogP3.24
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate?
The IUPAC name of ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate (CID 741296) is ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate?
The canonical SMILES for ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate is CCOC(=O)COc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate?
The InChIKey is AJNQFQRUQNNZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-22-16(21)12-23-18-14-10-6-7-11-15(14)19-17(20-18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate?
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate has a molecular weight of 308.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate is sourced from PubChem (CID 741296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).