methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate

C14H14N2O6 — CID 1265260

IUPACmethyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
SMILESCOC(=O)Cn1c(=O)c2ccccc2n(CC(=O)OC)c1=O
InChIInChI=1S/C14H14N2O6/c1-21-11(17)7-15-10-6-4-3-5-9(10)13(19)16(14(15)20)8-12(18)22-2/h3-6H,7-8H2,1-2H3
InChIKeyMWTHPHBAVHYHPJ-UHFFFAOYSA-N
MW306.27 g/mol
LogP-0.49
Rot. Bonds4

About methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate

methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate (PubChem CID 1265260) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
PubChem CID1265260
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Namemethyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
SMILESCOC(=O)Cn1c(=O)c2ccccc2n(CC(=O)OC)c1=O
InChIInChI=1S/C14H14N2O6/c1-21-11(17)7-15-10-6-4-3-5-9(10)13(19)16(14(15)20)8-12(18)22-2/h3-6H,7-8H2,1-2H3
InChIKeyMWTHPHBAVHYHPJ-UHFFFAOYSA-N
XLogP-0.49
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
methyl 2-carbazol-9-ylacetate
CID 3745219
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
methyl 2-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442868
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
1,3-bis[2-(4-bromophenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 1040501
ethyl 2-[3-(naphthalen-1-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 14423769
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate (CID 1265260) is methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate is COC(=O)Cn1c(=O)c2ccccc2n(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate?
The InChIKey is MWTHPHBAVHYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c1-21-11(17)7-15-10-6-4-3-5-9(10)13(19)16(14(15)20)8-12(18)22-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate?
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate has a molecular weight of 306.27 g/mol, XLogP of -0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate is sourced from PubChem (CID 1265260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).