[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate

C18H13F2N3O5 — CID 16580484

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate
SMILESO=C(COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13F2N3O5/c19-10-5-6-13(12(20)7-10)21-15(24)9-28-16(25)8-23-14-4-2-1-3-11(14)17(26)22-18(23)27/h1-7H,8-9H2,(H,21,24)(H,22,26,27)
InChIKeyOTLLGLHRQCUTIK-UHFFFAOYSA-N
MW389.31 g/mol
LogP1.15
Rot. Bonds5

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate (PubChem CID 16580484) has the molecular formula C18H13F2N3O5 and a molecular weight of 389.31 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate
PubChem CID16580484
Molecular FormulaC18H13F2N3O5
Molecular Weight389.31 g/mol
Exact Mass389.08
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate
SMILESO=C(COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13F2N3O5/c19-10-5-6-13(12(20)7-10)21-15(24)9-28-16(25)8-23-14-4-2-1-3-11(14)17(26)22-18(23)27/h1-7H,8-9H2,(H,21,24)(H,22,26,27)
InChIKeyOTLLGLHRQCUTIK-UHFFFAOYSA-N
XLogP1.15
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612358
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587301
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 18776513
2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 155322960
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822036
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587212
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate
CID 18205111
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732362
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574089
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 23967917
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate (CID 16580484) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate is O=C(COC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate?
The InChIKey is OTLLGLHRQCUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O5/c19-10-5-6-13(12(20)7-10)21-15(24)9-28-16(25)8-23-14-4-2-1-3-11(14)17(26)22-18(23)27/h1-7H,8-9H2,(H,21,24)(H,22,26,27).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate has a molecular weight of 389.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxoquinazolin-1-yl)acetate is sourced from PubChem (CID 16580484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).