ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate

C17H16N2O3 — CID 59558433

IUPACethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ncc3c(n2)C(=O)CCC3)cc1
InChIInChI=1S/C17H16N2O3/c1-2-22-17(21)12-8-6-11(7-9-12)16-18-10-13-4-3-5-14(20)15(13)19-16/h6-10H,2-5H2,1H3
InChIKeyAXZVYCMFJKUPLI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.84
Rot. Bonds3

About ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate

ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate (PubChem CID 59558433) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate
PubChem CID59558433
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ncc3c(n2)C(=O)CCC3)cc1
InChIInChI=1S/C17H16N2O3/c1-2-22-17(21)12-8-6-11(7-9-12)16-18-10-13-4-3-5-14(20)15(13)19-16/h6-10H,2-5H2,1H3
InChIKeyAXZVYCMFJKUPLI-UHFFFAOYSA-N
XLogP2.84
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2,4-diphenyl-5-pyrimidinecarboxylate
CID 1487223
Ethyl 4-[(5,8-dioxoquinazolin-6-yl)amino]benzoate
CID 130408072
Methyl 4-(((4-(pyridin-3-yl)pyrimidin-2-yl)amino)methyl)benzoate
CID 20785943
Methyl 4-(7-methylpyrido[2,3-d]pyrimidin-2-yl)benzoate
CID 44435029
CaMKII-IN-4
CID 44453787
Ethyl 4-(2-methylpropyl)-2-phenylpyrimidine-5-carboxylate
CID 162643902
methyl 4-amino-5,5-dimethyl-6H-benzo[h]quinazoline-8-carboxylate
CID 162664978
Ethyl 2-(3-fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylate
CID 162673710
Ethyl 5-(4-fluorobenzoyl)-2-phenylpyrimidine-4-carboxylate
CID 102521229
ethyl 4-[(1S,2S)-2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]cyclopentyl]benzoate
CID 134961145
Methyl 4-[({1-[4-methyl-2-(4-pyridinyl)-5-pyrimidinyl]ethyl}amino)methyl]benzoate
CID 45199544
Ethyl 4-(4-methylpyrimidin-2-yl)benzoate
CID 101526199

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate?
The IUPAC name of ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate (CID 59558433) is ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate?
The canonical SMILES for ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate is CCOC(=O)c1ccc(-c2ncc3c(n2)C(=O)CCC3)cc1.
What is the InChIKey of ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate?
The InChIKey is AXZVYCMFJKUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-22-17(21)12-8-6-11(7-9-12)16-18-10-13-4-3-5-14(20)15(13)19-16/h6-10H,2-5H2,1H3.
What are the key properties of ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate?
ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate has a molecular weight of 296.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(8-oxo-6,7-dihydro-5H-quinazolin-2-yl)benzoate is sourced from PubChem (CID 59558433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).