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

C18H16N2O3 — CID 3242109

IUPACethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C18H16N2O3/c1-3-23-18(22)13-7-6-8-14(11-13)20-12(2)19-16-10-5-4-9-15(16)17(20)21/h4-11H,3H2,1-2H3
InChIKeyYFGFPAPGYSYVQU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.87
Rot. Bonds3

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

ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate (PubChem CID 3242109) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate
PubChem CID3242109
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C18H16N2O3/c1-3-23-18(22)13-7-6-8-14(11-13)20-12(2)19-16-10-5-4-9-15(16)17(20)21/h4-11H,3H2,1-2H3
InChIKeyYFGFPAPGYSYVQU-UHFFFAOYSA-N
XLogP2.87
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoic acid, o-(2-methyl-3-(4(3H)-quinazolinonyl)), methyl ester
CID 16175
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137
(E)-3-(2-(4-Cyanostyryl)-4-Oxoquinazolin-3(4h)-Yl)benzoic Acid
CID 77461240
3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid
CID 78323068
methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)benzoate
CID 914529
3-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
CID 5765355
methyl 4-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]benzoate
CID 135681156
dimethyl 5-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 135697649
3-(2,6-Dimethyl-4-oxo-5-phenylpyrimidin-1-yl)benzoic acid
CID 658372
ethyl 4-[2-[(diethylamino)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl]benzoate
CID 16193017
N-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 693837
Methyl 2-(chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
CID 135520070

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate (CID 3242109) is ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate is CCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is YFGFPAPGYSYVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-23-18(22)13-7-6-8-14(11-13)20-12(2)19-16-10-5-4-9-15(16)17(20)21/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate has a molecular weight of 308.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methyl-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 3242109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).