2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide

C28H25FN4O2 — CID 11202184

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C28H25FN4O2/c29-19-5-8-21(9-6-19)33-13-11-32(12-14-33)17-26(34)30-20-7-10-22-18(15-20)16-25-23-3-1-2-4-24(23)28(35)31-27(22)25/h1-10,15H,11-14,16-17H2,(H,30,34)(H,31,35)
InChIKeyPAWPYIRHUFVTHJ-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.00
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide (PubChem CID 11202184) has the molecular formula C28H25FN4O2 and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide
PubChem CID11202184
Molecular FormulaC28H25FN4O2
Molecular Weight468.53 g/mol
Exact Mass468.20
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C28H25FN4O2/c29-19-5-8-21(9-6-19)33-13-11-32(12-14-33)17-26(34)30-20-7-10-22-18(15-20)16-25-23-3-1-2-4-24(23)28(35)31-27(22)25/h1-10,15H,11-14,16-17H2,(H,30,34)(H,31,35)
InChIKeyPAWPYIRHUFVTHJ-UHFFFAOYSA-N
XLogP4.00
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide (CID 11202184) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide?
The InChIKey is PAWPYIRHUFVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2/c29-19-5-8-21(9-6-19)33-13-11-32(12-14-33)17-26(34)30-20-7-10-22-18(15-20)16-25-23-3-1-2-4-24(23)28(35)31-27(22)25/h1-10,15H,11-14,16-17H2,(H,30,34)(H,31,35).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide has a molecular weight of 468.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide is sourced from PubChem (CID 11202184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).