methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate

C18H16N2O5 — CID 127027446

IUPACmethyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate
SMILESCOC(=O)c1cc(OC)ccc1-n1cnc2ccc(OC)cc2c1=O
InChIInChI=1S/C18H16N2O5/c1-23-11-4-6-15-13(8-11)17(21)20(10-19-15)16-7-5-12(24-2)9-14(16)18(22)25-3/h4-10H,1-3H3
InChIKeyBJRZJPZOYQWHHD-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.19
Rot. Bonds4

About methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate

methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate (PubChem CID 127027446) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate
PubChem CID127027446
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate
SMILESCOC(=O)c1cc(OC)ccc1-n1cnc2ccc(OC)cc2c1=O
InChIInChI=1S/C18H16N2O5/c1-23-11-4-6-15-13(8-11)17(21)20(10-19-15)16-7-5-12(24-2)9-14(16)18(22)25-3/h4-10H,1-3H3
InChIKeyBJRZJPZOYQWHHD-UHFFFAOYSA-N
XLogP2.19
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate (CID 127027446) is methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate is COC(=O)c1cc(OC)ccc1-n1cnc2ccc(OC)cc2c1=O.
What is the InChIKey of methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is BJRZJPZOYQWHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-11-4-6-15-13(8-11)17(21)20(10-19-15)16-7-5-12(24-2)9-14(16)18(22)25-3/h4-10H,1-3H3.
What are the key properties of methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate?
methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate has a molecular weight of 340.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 127027446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).