ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate

C19H18N2O3 — CID 948855

IUPACethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c(CC)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H18N2O3/c1-3-17-20-16-8-6-5-7-15(16)18(22)21(17)14-11-9-13(10-12-14)19(23)24-4-2/h5-12H,3-4H2,1-2H3
InChIKeyOUTRQKYKDWRGEN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.12
Rot. Bonds4

About ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate

ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate (PubChem CID 948855) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
PubChem CID948855
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c(CC)nc3ccccc3c2=O)cc1
InChIInChI=1S/C19H18N2O3/c1-3-17-20-16-8-6-5-7-15(16)18(22)21(17)14-11-9-13(10-12-14)19(23)24-4-2/h5-12H,3-4H2,1-2H3
InChIKeyOUTRQKYKDWRGEN-UHFFFAOYSA-N
XLogP3.12
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoic acid, 4-(((methylphenylamino)methylene)amino)-, ethyl ester
CID 93817
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 704820
Acetamide, N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-
CID 1097045
Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester
CID 16175
methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)benzoate
CID 914529
methyl 4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]benzoate
CID 135681156
4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)benzoic acid
CID 777101
ethyl 4-[2-[(diethylamino)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
CID 16193017
ethyl 4-[2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
CID 16193186
N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]propanamide
CID 789646
Ethyl 4-{[(2-oxo-1,2-dihydro-4-quinolinyl)carbonyl]amino}benzoate
CID 705243
Methyl 2-(4-oxoquinazolin-3(4H)-yl)benzoate
CID 317906

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate (CID 948855) is ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate is CCOC(=O)c1ccc(-n2c(CC)nc3ccccc3c2=O)cc1.
What is the InChIKey of ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is OUTRQKYKDWRGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-17-20-16-8-6-5-7-15(16)18(22)21(17)14-11-9-13(10-12-14)19(23)24-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate?
ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethyl-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 948855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).