methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate

C13H14N2O5 — CID 3242692

IUPACmethyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O
InChIInChI=1S/C13H14N2O5/c1-19-6-5-15-11(16)9-4-3-8(12(17)20-2)7-10(9)14-13(15)18/h3-4,7H,5-6H2,1-2H3,(H,14,18)
InChIKeyRKESOTWRXCDIJS-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.12
Rot. Bonds4

About methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate

methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate (PubChem CID 3242692) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate
PubChem CID3242692
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Namemethyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate
SMILESCOCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O
InChIInChI=1S/C13H14N2O5/c1-19-6-5-15-11(16)9-4-3-8(12(17)20-2)7-10(9)14-13(15)18/h3-4,7H,5-6H2,1-2H3,(H,14,18)
InChIKeyRKESOTWRXCDIJS-UHFFFAOYSA-N
XLogP0.12
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate 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 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate (CID 3242692) is methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate is COCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O.
What is the InChIKey of methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate?
The InChIKey is RKESOTWRXCDIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-19-6-5-15-11(16)9-4-3-8(12(17)20-2)7-10(9)14-13(15)18/h3-4,7H,5-6H2,1-2H3,(H,14,18).
What are the key properties of methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate?
methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate is sourced from PubChem (CID 3242692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).