(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate

C20H19N3O4 — CID 135665444

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate
SMILESCC(=O)NCCc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H19N3O4/c1-13(24)21-11-10-14-6-8-15(9-7-14)20(26)27-12-18-22-17-5-3-2-4-16(17)19(25)23-18/h2-9H,10-12H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyWJCMDYDGSJRUMC-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.96
Rot. Bonds6

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

(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate (PubChem CID 135665444) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate
PubChem CID135665444
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate
SMILESCC(=O)NCCc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H19N3O4/c1-13(24)21-11-10-14-6-8-15(9-7-14)20(26)27-12-18-22-17-5-3-2-4-16(17)19(25)23-18/h2-9H,10-12H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyWJCMDYDGSJRUMC-UHFFFAOYSA-N
XLogP1.96
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
(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-(diethylsulfamoyl)benzoate
CID 135734831
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
(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-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831616
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
(4-oxo-3H-quinazolin-2-yl)methyl 2-(butylamino)benzoate
CID 135734780

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate (CID 135665444) is (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate is CC(=O)NCCc1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate?
The InChIKey is WJCMDYDGSJRUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(24)21-11-10-14-6-8-15(9-7-14)20(26)27-12-18-22-17-5-3-2-4-16(17)19(25)23-18/h2-9H,10-12H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate?
(4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate has a molecular weight of 365.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 4-(2-acetamidoethyl)benzoate is sourced from PubChem (CID 135665444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).