methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate

C18H16N2O4 — CID 973212

IUPACmethyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-23-18(22)13-6-8-14(9-7-13)24-11-10-20-12-19-16-5-3-2-4-15(16)17(20)21/h2-9,12H,10-11H2,1H3
InChIKeyHBDRQLHYSGKOOW-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.26
Rot. Bonds5

About methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate

methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate (PubChem CID 973212) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate
PubChem CID973212
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-23-18(22)13-6-8-14(9-7-13)24-11-10-20-12-19-16-5-3-2-4-15(16)17(20)21/h2-9,12H,10-11H2,1H3
InChIKeyHBDRQLHYSGKOOW-UHFFFAOYSA-N
XLogP2.26
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate?
The IUPAC name of methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate (CID 973212) is methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate is COC(=O)c1ccc(OCCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate?
The InChIKey is HBDRQLHYSGKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-18(22)13-6-8-14(9-7-13)24-11-10-20-12-19-16-5-3-2-4-15(16)17(20)21/h2-9,12H,10-11H2,1H3.
What are the key properties of methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate?
methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate has a molecular weight of 324.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzoate is sourced from PubChem (CID 973212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).