N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide

C28H27FN4O2 — CID 171716551

IUPACN-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C28H27FN4O2/c29-22-9-11-23(12-10-22)31-28(35)27(20-5-2-1-3-6-20)33-17-15-32(16-18-33)19-21-8-13-25(34)26-24(21)7-4-14-30-26/h1-14,27,34H,15-19H2,(H,31,35)
InChIKeyKWYORHCQGAJMIA-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.58
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide

N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 171716551) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID171716551
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC NameN-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C28H27FN4O2/c29-22-9-11-23(12-10-22)31-28(35)27(20-5-2-1-3-6-20)33-17-15-32(16-18-33)19-21-8-13-25(34)26-24(21)7-4-14-30-26/h1-14,27,34H,15-19H2,(H,31,35)
InChIKeyKWYORHCQGAJMIA-UHFFFAOYSA-N
XLogP4.58
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide (CID 171716551) is N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide is O=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(Cc2ccc(O)c3ncccc23)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is KWYORHCQGAJMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c29-22-9-11-23(12-10-22)31-28(35)27(20-5-2-1-3-6-20)33-17-15-32(16-18-33)19-21-8-13-25(34)26-24(21)7-4-14-30-26/h1-14,27,34H,15-19H2,(H,31,35).
What are the key properties of N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 470.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 171716551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).