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

C20H19N3O6 — CID 4791786

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H19N3O6/c1-27-13-7-8-16(17(9-13)28-2)22-18(24)11-29-19(25)10-23-12-21-15-6-4-3-5-14(15)20(23)26/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyVDBWFNNZEULUBU-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.60
Rot. Bonds7

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

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 4791786) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID4791786
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H19N3O6/c1-27-13-7-8-16(17(9-13)28-2)22-18(24)11-29-19(25)10-23-12-21-15-6-4-3-5-14(15)20(23)26/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyVDBWFNNZEULUBU-UHFFFAOYSA-N
XLogP1.60
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,4-dimethoxyphenyl)-2-(4-morpholinylmethyl)-4(3H)-quinazolinone
CID 991506
3-[4-(3-ethoxyphenoxy)butyl]-4(3H)-quinazolinone
CID 2300157
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2410671
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4844513
N-(2-Methoxy-5-methylphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 15994104
3(4H)-Quinazolineacetamide, N-(4-methoxyphenyl)-4-oxo-
CID 670909
3-{2-[2-(3-ethoxyphenoxy)ethoxy]ethyl}-4(3H)-quinazolinone
CID 2582756
N~1~-(5-chloro-2,4-dimethoxyphenyl)-N~1~-methyl-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3238155
N~1~-(2,4-dimethoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
CID 3240426
N-(2,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3311104
N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(tetrahydrofuran-2-ylmethyl)-3,4-dihydroquinazolin-1(2H)-yl]acetamide
CID 15989258
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135543298

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 4791786) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is COc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is VDBWFNNZEULUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-27-13-7-8-16(17(9-13)28-2)22-18(24)11-29-19(25)10-23-12-21-15-6-4-3-5-14(15)20(23)26/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 397.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 4791786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).