[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate

C21H21N3O5 — CID 55444335

IUPAC[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
SMILESCOc1ccc(NC(=O)C(C)OC(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C21H21N3O5/c1-14(21(27)23-15-7-9-16(28-2)10-8-15)29-20(26)11-12-24-18-6-4-3-5-17(18)19(25)13-22-24/h3-10,13-14H,11-12H2,1-2H3,(H,23,27)
InChIKeyGFJSPCJWZAMFEK-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.37
Rot. Bonds7

About [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate

[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate (PubChem CID 55444335) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate.

Molecular Properties

Compound Name[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
PubChem CID55444335
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
SMILESCOc1ccc(NC(=O)C(C)OC(=O)CCn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C21H21N3O5/c1-14(21(27)23-15-7-9-16(28-2)10-8-15)29-20(26)11-12-24-18-6-4-3-5-17(18)19(25)13-22-24/h3-10,13-14H,11-12H2,1-2H3,(H,23,27)
InChIKeyGFJSPCJWZAMFEK-UHFFFAOYSA-N
XLogP2.37
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444304
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
CID 42921097
N-(4-methoxyphenyl)-3-(4-oxocinnolin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 55439031
(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
CID 55444031
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 42920757
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate
CID 9308337
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729395
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4249582
(1-anilino-1-oxopropan-2-yl) 3-indol-1-ylpropanoate
CID 86906520

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate?
The IUPAC name of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate (CID 55444335) is [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate.
What is the SMILES notation for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate?
The canonical SMILES for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate is COc1ccc(NC(=O)C(C)OC(=O)CCn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate?
The InChIKey is GFJSPCJWZAMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-14(21(27)23-15-7-9-16(28-2)10-8-15)29-20(26)11-12-24-18-6-4-3-5-17(18)19(25)13-22-24/h3-10,13-14H,11-12H2,1-2H3,(H,23,27).
What are the key properties of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate?
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate has a molecular weight of 395.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate is sourced from PubChem (CID 55444335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).