3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

C18H14F3N3O3 — CID 18097743

IUPAC3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)27-13-7-5-12(6-8-13)23-17(26)9-10-24-15-4-2-1-3-14(15)16(25)11-22-24/h1-8,11H,9-10H2,(H,23,26)
InChIKeyBZQZTXOBLIHIQO-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.32
Rot. Bonds5

About 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 18097743) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID18097743
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)27-13-7-5-12(6-8-13)23-17(26)9-10-24-15-4-2-1-3-14(15)16(25)11-22-24/h1-8,11H,9-10H2,(H,23,26)
InChIKeyBZQZTXOBLIHIQO-UHFFFAOYSA-N
XLogP3.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
ethyl 1-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 55624747
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
CID 55444031
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51255004
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134015511

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 18097743) is 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is O=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is BZQZTXOBLIHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)27-13-7-5-12(6-8-13)23-17(26)9-10-24-15-4-2-1-3-14(15)16(25)11-22-24/h1-8,11H,9-10H2,(H,23,26).
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 377.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 18097743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).