ethyl 4-(4-oxoquinazolin-3-yl)butanoate

C14H16N2O3 — CID 10539258

IUPACethyl 4-(4-oxoquinazolin-3-yl)butanoate
SMILESCCOC(=O)CCCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H16N2O3/c1-2-19-13(17)8-5-9-16-10-15-12-7-4-3-6-11(12)14(16)18/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyYZMWXTKPHGJKNC-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.74
Rot. Bonds5

About ethyl 4-(4-oxoquinazolin-3-yl)butanoate

ethyl 4-(4-oxoquinazolin-3-yl)butanoate (PubChem CID 10539258) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 4-(4-oxoquinazolin-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(4-oxoquinazolin-3-yl)butanoate
PubChem CID10539258
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 4-(4-oxoquinazolin-3-yl)butanoate
SMILESCCOC(=O)CCCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H16N2O3/c1-2-19-13(17)8-5-9-16-10-15-12-7-4-3-6-11(12)14(16)18/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyYZMWXTKPHGJKNC-UHFFFAOYSA-N
XLogP1.74
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-oxoquinazolin-3-yl)butanoate?
The IUPAC name of ethyl 4-(4-oxoquinazolin-3-yl)butanoate (CID 10539258) is ethyl 4-(4-oxoquinazolin-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(4-oxoquinazolin-3-yl)butanoate?
The canonical SMILES for ethyl 4-(4-oxoquinazolin-3-yl)butanoate is CCOC(=O)CCCn1cnc2ccccc2c1=O.
What is the InChIKey of ethyl 4-(4-oxoquinazolin-3-yl)butanoate?
The InChIKey is YZMWXTKPHGJKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-13(17)8-5-9-16-10-15-12-7-4-3-6-11(12)14(16)18/h3-4,6-7,10H,2,5,8-9H2,1H3.
What are the key properties of ethyl 4-(4-oxoquinazolin-3-yl)butanoate?
ethyl 4-(4-oxoquinazolin-3-yl)butanoate has a molecular weight of 260.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxoquinazolin-3-yl)butanoate is sourced from PubChem (CID 10539258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).