[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C20H18N2O6 — CID 7995154

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H18N2O6/c1-26-13-7-8-15(18(9-13)27-2)17(23)11-28-19(24)10-22-12-21-16-6-4-3-5-14(16)20(22)25/h3-9,12H,10-11H2,1-2H3
InChIKeyAJLJCSMJWXXUIX-UHFFFAOYSA-N
MW382.37 g/mol
LogP1.84
Rot. Bonds7

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7995154) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7995154
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H18N2O6/c1-26-13-7-8-15(18(9-13)27-2)17(23)11-28-19(24)10-22-12-21-16-6-4-3-5-14(16)20(22)25/h3-9,12H,10-11H2,1-2H3
InChIKeyAJLJCSMJWXXUIX-UHFFFAOYSA-N
XLogP1.84
TPSA96.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7995154) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is COc1ccc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is AJLJCSMJWXXUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-26-13-7-8-15(18(9-13)27-2)17(23)11-28-19(24)10-22-12-21-16-6-4-3-5-14(16)20(22)25/h3-9,12H,10-11H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 382.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7995154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).