N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide

C20H18N4O3 — CID 55879347

IUPACN-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESN#CCCCOc1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C20H18N4O3/c21-10-3-4-11-27-16-7-5-6-15(12-16)23-20(26)14-24-18-9-2-1-8-17(18)19(25)13-22-24/h1-2,5-9,12-13H,3-4,11,14H2,(H,23,26)
InChIKeyCCURPGZTOQYASF-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.72
Rot. Bonds7

About N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55879347) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55879347
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESN#CCCCOc1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C20H18N4O3/c21-10-3-4-11-27-16-7-5-6-15(12-16)23-20(26)14-24-18-9-2-1-8-17(18)19(25)13-22-24/h1-2,5-9,12-13H,3-4,11,14H2,(H,23,26)
InChIKeyCCURPGZTOQYASF-UHFFFAOYSA-N
XLogP2.72
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602
ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 55415120
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 60532359
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55878594
4-[3-(3-cyanopropoxy)anilino]-4-oxobutanoic acid
CID 60933599
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
CID 60928110
N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-N-methylbenzamide
CID 55879730
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 52698958

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55879347) is N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide is N#CCCCOc1cccc(NC(=O)Cn2ncc(=O)c3ccccc32)c1.
What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is CCURPGZTOQYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-10-3-4-11-27-16-7-5-6-15(12-16)23-20(26)14-24-18-9-2-1-8-17(18)19(25)13-22-24/h1-2,5-9,12-13H,3-4,11,14H2,(H,23,26).
What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55879347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).