N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide

C23H25FN4O2 — CID 75453687

IUPACN-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(N2CCCCCCC2)c(F)c1
InChIInChI=1S/C23H25FN4O2/c24-19-14-17(10-11-21(19)27-12-6-2-1-3-7-13-27)26-23(30)16-28-20-9-5-4-8-18(20)22(29)15-25-28/h4-5,8-11,14-15H,1-3,6-7,12-13,16H2,(H,26,30)
InChIKeyKTBSKJVQUIYDCX-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.94
Rot. Bonds4

About N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 75453687) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID75453687
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(N2CCCCCCC2)c(F)c1
InChIInChI=1S/C23H25FN4O2/c24-19-14-17(10-11-21(19)27-12-6-2-1-3-7-13-27)26-23(30)16-28-20-9-5-4-8-18(20)22(29)15-25-28/h4-5,8-11,14-15H,1-3,6-7,12-13,16H2,(H,26,30)
InChIKeyKTBSKJVQUIYDCX-UHFFFAOYSA-N
XLogP3.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55799891
2-(4-oxocinnolin-1-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 134013002
2-(4-oxocinnolin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853339
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
N-methyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzamide
CID 134008602
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 134004829
ethyl 3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 55415120
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062

Frequently Asked Questions

What is the IUPAC name of N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 75453687) is N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide is O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(N2CCCCCCC2)c(F)c1.
What is the InChIKey of N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is KTBSKJVQUIYDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-14-17(10-11-21(19)27-12-6-2-1-3-7-13-27)26-23(30)16-28-20-9-5-4-8-18(20)22(29)15-25-28/h4-5,8-11,14-15H,1-3,6-7,12-13,16H2,(H,26,30).
What are the key properties of N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azocan-1-yl)-3-fluorophenyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 75453687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).