ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate

C20H20N2O3 — CID 2190027

IUPACethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate
SMILESCCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C20H20N2O3/c1-3-7-18-21-17-9-6-5-8-16(17)19(23)22(18)15-12-10-14(11-13-15)20(24)25-4-2/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyAGKQLEKJQSEICK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.51
Rot. Bonds5

About ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate

ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate (PubChem CID 2190027) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate
PubChem CID2190027
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate
SMILESCCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C20H20N2O3/c1-3-7-18-21-17-9-6-5-8-16(17)19(23)22(18)15-12-10-14(11-13-15)20(24)25-4-2/h5-6,8-13H,3-4,7H2,1-2H3
InChIKeyAGKQLEKJQSEICK-UHFFFAOYSA-N
XLogP3.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate?
The IUPAC name of ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate (CID 2190027) is ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate is CCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate?
The InChIKey is AGKQLEKJQSEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-7-18-21-17-9-6-5-8-16(17)19(23)22(18)15-12-10-14(11-13-15)20(24)25-4-2/h5-6,8-13H,3-4,7H2,1-2H3.
What are the key properties of ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate?
ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate has a molecular weight of 336.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxo-2-propylquinazolin-3-yl)benzoate is sourced from PubChem (CID 2190027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).