methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate

C17H14N2O4 — CID 168550749

IUPACmethyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
SMILESCOC(=O)c1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC
InChIInChI=1S/C17H14N2O4/c1-22-14-8-7-10(9-12(14)17(21)23-2)15-18-13-6-4-3-5-11(13)16(20)19-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyBXOKGCCJYONSGI-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate

methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate (PubChem CID 168550749) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
PubChem CID168550749
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
SMILESCOC(=O)c1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC
InChIInChI=1S/C17H14N2O4/c1-22-14-8-7-10(9-12(14)17(21)23-2)15-18-13-6-4-3-5-11(13)16(20)19-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyBXOKGCCJYONSGI-UHFFFAOYSA-N
XLogP2.39
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate?
The IUPAC name of methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate (CID 168550749) is methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate.
What is the SMILES notation for methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate?
The canonical SMILES for methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate is COC(=O)c1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate?
The InChIKey is BXOKGCCJYONSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-14-8-7-10(9-12(14)17(21)23-2)15-18-13-6-4-3-5-11(13)16(20)19-15/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate?
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate has a molecular weight of 310.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate is sourced from PubChem (CID 168550749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).