ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate

C19H18N2O3 — CID 23826495

IUPACethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
SMILESCCOC(=O)c1ccccc1Cc1nc(=O)c2ccccc2n1C
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)14-9-5-4-8-13(14)12-17-20-18(22)15-10-6-7-11-16(15)21(17)2/h4-11H,3,12H2,1-2H3
InChIKeyWZRMZISOSDGHEO-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.70
Rot. Bonds4

About ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate

ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate (PubChem CID 23826495) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
PubChem CID23826495
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
SMILESCCOC(=O)c1ccccc1Cc1nc(=O)c2ccccc2n1C
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)14-9-5-4-8-13(14)12-17-20-18(22)15-10-6-7-11-16(15)21(17)2/h4-11H,3,12H2,1-2H3
InChIKeyWZRMZISOSDGHEO-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
CID 23738534
ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13060569
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
ethyl 5-oxo-2,6-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,7,9,11,13,15-heptaene-4-carboxylate
CID 165352312
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethyl 2-benzoyl-6-oxopyridazino[1,6-a]quinazoline-4-carboxylate
CID 15441886
ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
CID 24792645
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 2-(azepan-1-yl)-9-methylcarbazole-3-carboxylate
CID 43841999
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate?
The IUPAC name of ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate (CID 23826495) is ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate.
What is the SMILES notation for ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate?
The canonical SMILES for ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate is CCOC(=O)c1ccccc1Cc1nc(=O)c2ccccc2n1C.
What is the InChIKey of ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate?
The InChIKey is WZRMZISOSDGHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(23)14-9-5-4-8-13(14)12-17-20-18(22)15-10-6-7-11-16(15)21(17)2/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate?
ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate has a molecular weight of 322.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate is sourced from PubChem (CID 23826495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).