(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate

C19H17N3O4 — CID 55444031

IUPAC(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
SMILESO=C(COC(=O)CCn1ncc(=O)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C19H17N3O4/c23-17-12-20-22(16-9-5-4-8-15(16)17)11-10-19(25)26-13-18(24)21-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,21,24)
InChIKeyKGZOYHBRZJDOLN-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.97
Rot. Bonds6

About (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate

(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate (PubChem CID 55444031) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
PubChem CID55444031
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
SMILESO=C(COC(=O)CCn1ncc(=O)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C19H17N3O4/c23-17-12-20-22(16-9-5-4-8-15(16)17)11-10-19(25)26-13-18(24)21-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,21,24)
InChIKeyKGZOYHBRZJDOLN-UHFFFAOYSA-N
XLogP1.97
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444215
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444259
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444173
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444194
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444106
ethyl 4-ethyl-5-methyl-2-[[2-[3-(4-oxocinnolin-1-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
CID 55444307
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444155

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate (CID 55444031) is (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate is O=C(COC(=O)CCn1ncc(=O)c2ccccc21)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate?
The InChIKey is KGZOYHBRZJDOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-17-12-20-22(16-9-5-4-8-15(16)17)11-10-19(25)26-13-18(24)21-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,21,24).
What are the key properties of (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate?
(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate has a molecular weight of 351.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate is sourced from PubChem (CID 55444031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).