ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate

C17H14N2O4 — CID 661705

IUPACethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-2-23-16(21)11-7-9-12(10-8-11)19-15(20)13-5-3-4-6-14(13)18-17(19)22/h3-10H,2H2,1H3,(H,18,22)
InChIKeyKJVDAMNXWOGNQE-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.86
Rot. Bonds3

About ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate

ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate (PubChem CID 661705) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate
PubChem CID661705
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Nameethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C17H14N2O4/c1-2-23-16(21)11-7-9-12(10-8-11)19-15(20)13-5-3-4-6-14(13)18-17(19)22/h3-10H,2H2,1H3,(H,18,22)
InChIKeyKJVDAMNXWOGNQE-UHFFFAOYSA-N
XLogP1.86
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-(benzoylamino)benzoate
CID 12914
Ethyl 4-(3-benzoylthioureido)benzoate
CID 708478
Ethyl 4-(1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)benzoate
CID 362861
ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate
CID 970289
Propyl 4-[(2-nitrobenzoyl)amino]benzoate
CID 2164898
Methyl 4-{[3-(4-benzyl-1-piperazinyl)propanoyl]amino}benzoate
CID 564104
Benzoic acid, 4-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-, methyl ester
CID 632654
Methyl 4-{3-[4-(ethoxycarbonyl)-4-phenylpiperidyl]propanoylamino}benzoate
CID 4273842
Methyl 4-[(morpholine-4-carbonyl)amino]benzoate
CID 645276
Ethyl 4-(piperidine-1-carbonylamino)benzoate
CID 2930438
Ethyl 4-{[(4-benzyl-1-piperazinyl)carbonyl]amino}benzoate
CID 3726372
Ethyl 4-(3-benzylureido)benzoate
CID 6457861

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate?
The IUPAC name of ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate (CID 661705) is ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate is CCOC(=O)c1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate?
The InChIKey is KJVDAMNXWOGNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-23-16(21)11-7-9-12(10-8-11)19-15(20)13-5-3-4-6-14(13)18-17(19)22/h3-10H,2H2,1H3,(H,18,22).
What are the key properties of ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate?
ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate has a molecular weight of 310.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)benzoate is sourced from PubChem (CID 661705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).