N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide

C25H17FN4O3 — CID 86887199

IUPACN-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(Oc2cccc(F)c2)c2ccncc12
InChIInChI=1S/C25H17FN4O3/c26-16-4-3-5-17(12-16)33-24-9-8-21(20-13-27-11-10-18(20)24)29-25(32)15-30-22-7-2-1-6-19(22)23(31)14-28-30/h1-14H,15H2,(H,29,32)
InChIKeyPQXLMRNLATVAQR-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.51
Rot. Bonds5

About N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide

N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 86887199) has the molecular formula C25H17FN4O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID86887199
Molecular FormulaC25H17FN4O3
Molecular Weight440.43 g/mol
Exact Mass440.13
IUPAC NameN-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(Oc2cccc(F)c2)c2ccncc12
InChIInChI=1S/C25H17FN4O3/c26-16-4-3-5-17(12-16)33-24-9-8-21(20-13-27-11-10-18(20)24)29-25(32)15-30-22-7-2-1-6-19(22)23(31)14-28-30/h1-14H,15H2,(H,29,32)
InChIKeyPQXLMRNLATVAQR-UHFFFAOYSA-N
XLogP4.51
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 86890503
1-[5-(3-fluorophenoxy)isoquinolin-8-yl]-3-methylurea
CID 167836215
N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 167755487
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55945386
N-[3-(3-cyanopropoxy)phenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55879347
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55957035
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55763290

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide (CID 86887199) is N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide is O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(Oc2cccc(F)c2)c2ccncc12.
What is the InChIKey of N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is PQXLMRNLATVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O3/c26-16-4-3-5-17(12-16)33-24-9-8-21(20-13-27-11-10-18(20)24)29-25(32)15-30-22-7-2-1-6-19(22)23(31)14-28-30/h1-14H,15H2,(H,29,32).
What are the key properties of N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 440.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 86887199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).