(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate

C18H16N2O3 — CID 135734851

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H16N2O3/c1-2-12-7-9-13(10-8-12)18(22)23-11-16-19-15-6-4-3-5-14(15)17(21)20-16/h3-10H,2,11H2,1H3,(H,19,20,21)
InChIKeyFZJOSKYJYCVMOZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.84
Rot. Bonds4

About (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate

(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate (PubChem CID 135734851) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
PubChem CID135734851
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H16N2O3/c1-2-12-7-9-13(10-8-12)18(22)23-11-16-19-15-6-4-3-5-14(15)17(21)20-16/h3-10H,2,11H2,1H3,(H,19,20,21)
InChIKeyFZJOSKYJYCVMOZ-UHFFFAOYSA-N
XLogP2.84
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate
CID 135665444
(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 135734831
(4-oxo-3H-quinazolin-2-yl)methyl 3-fluorobenzoate
CID 135734891
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 135734795
(4-oxo-3H-quinazolin-2-yl)methyl 2-(butylamino)benzoate
CID 135734780
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate (CID 135734851) is (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate is CCc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate?
The InChIKey is FZJOSKYJYCVMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-12-7-9-13(10-8-12)18(22)23-11-16-19-15-6-4-3-5-14(15)17(21)20-16/h3-10H,2,11H2,1H3,(H,19,20,21).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate?
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate has a molecular weight of 308.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate is sourced from PubChem (CID 135734851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).