ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate

C18H16N2O3 — CID 1147036

IUPACethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O3/c1-2-23-16(21)12-20-17(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18(20)22/h3-11H,2,12H2,1H3
InChIKeyXRMLPFDMNFIMSI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.63
Rot. Bonds4

About ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate

ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate (PubChem CID 1147036) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
PubChem CID1147036
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N2O3/c1-2-23-16(21)12-20-17(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18(20)22/h3-11H,2,12H2,1H3
InChIKeyXRMLPFDMNFIMSI-UHFFFAOYSA-N
XLogP2.63
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate (CID 1147036) is ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate is CCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate?
The InChIKey is XRMLPFDMNFIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-16(21)12-20-17(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18(20)22/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate?
ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate has a molecular weight of 308.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-2-phenylquinazolin-3-yl)acetate is sourced from PubChem (CID 1147036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).