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

C18H16N2O4 — CID 135734893

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O4/c1-2-23-15-10-6-4-8-13(15)18(22)24-11-16-19-14-9-5-3-7-12(14)17(21)20-16/h3-10H,2,11H2,1H3,(H,19,20,21)
InChIKeyZNKMTPKYWRDLMA-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.68
Rot. Bonds5

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

(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate (PubChem CID 135734893) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
PubChem CID135734893
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16N2O4/c1-2-23-15-10-6-4-8-13(15)18(22)24-11-16-19-14-9-5-3-7-12(14)17(21)20-16/h3-10H,2,11H2,1H3,(H,19,20,21)
InChIKeyZNKMTPKYWRDLMA-UHFFFAOYSA-N
XLogP2.68
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-ethoxybenzoate
CID 135787464
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
(4-oxo-3H-quinazolin-2-yl)methyl 2-(butylamino)benzoate
CID 135734780
(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(4-oxo-3H-quinazolin-2-yl)methyl 3-fluorobenzoate
CID 135734891
(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 135734831
(4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 135723687
(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135815721

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate (CID 135734893) is (4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate?
The InChIKey is ZNKMTPKYWRDLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-23-15-10-6-4-8-13(15)18(22)24-11-16-19-14-9-5-3-7-12(14)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 2-ethoxybenzoate?
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate has a molecular weight of 324.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate is sourced from PubChem (CID 135734893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).