benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate

C18H16N2O4 — CID 155353968

IUPACbenzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate
SMILESCOc1cc(C(=O)OCc2ccccc2)cc2c(=O)[nH]c(C)nc12
InChIInChI=1S/C18H16N2O4/c1-11-19-16-14(17(21)20-11)8-13(9-15(16)23-2)18(22)24-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyLMMZMPWMZOQFEQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.60
Rot. Bonds4

About benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate

benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate (PubChem CID 155353968) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate.

Molecular Properties

Compound Namebenzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate
PubChem CID155353968
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namebenzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate
SMILESCOc1cc(C(=O)OCc2ccccc2)cc2c(=O)[nH]c(C)nc12
InChIInChI=1S/C18H16N2O4/c1-11-19-16-14(17(21)20-11)8-13(9-15(16)23-2)18(22)24-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyLMMZMPWMZOQFEQ-UHFFFAOYSA-N
XLogP2.60
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate?
The IUPAC name of benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate (CID 155353968) is benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate.
What is the SMILES notation for benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate?
The canonical SMILES for benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate is COc1cc(C(=O)OCc2ccccc2)cc2c(=O)[nH]c(C)nc12.
What is the InChIKey of benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate?
The InChIKey is LMMZMPWMZOQFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-19-16-14(17(21)20-11)8-13(9-15(16)23-2)18(22)24-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,20,21).
What are the key properties of benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate?
benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 8-methoxy-2-methyl-4-oxo-3H-quinazoline-6-carboxylate is sourced from PubChem (CID 155353968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).