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

C18H16N2O3 — CID 744635

IUPACethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-3-23-18(22)13-8-10-14(11-9-13)20-12(2)19-16-7-5-4-6-15(16)17(20)21/h4-11H,3H2,1-2H3
InChIKeyMUNBUKDEKFBKQD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.87
Rot. Bonds3

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

ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate (PubChem CID 744635) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
PubChem CID744635
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N2O3/c1-3-23-18(22)13-8-10-14(11-9-13)20-12(2)19-16-7-5-4-6-15(16)17(20)21/h4-11H,3H2,1-2H3
InChIKeyMUNBUKDEKFBKQD-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

[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 31653712
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 8949664
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
(3-nitrophenyl)methyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 31652699
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
ethyl 2-(4-ethoxycarbonylphenyl)-3-hydroxy-1-oxoisoquinoline-4-carboxylate
CID 135503877
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
ethyl 4-[4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-3-yl]benzoate
CID 135449526
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 31653327
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 8996511
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 55367536

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate (CID 744635) is ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate is CCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is MUNBUKDEKFBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-23-18(22)13-8-10-14(11-9-13)20-12(2)19-16-7-5-4-6-15(16)17(20)21/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
ethyl 4-(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 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 744635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).