2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C21H20ClFN4O — CID 9339996

IUPAC2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H20ClFN4O/c22-15-1-6-18-19(13-15)24-8-7-20(18)27-11-9-26(10-12-27)14-21(28)25-17-4-2-16(23)3-5-17/h1-8,13H,9-12,14H2,(H,25,28)
InChIKeyNCIJMROIYXFEOF-UHFFFAOYSA-N
MW398.87 g/mol
LogP3.79
Rot. Bonds4

About 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 9339996) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID9339996
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H20ClFN4O/c22-15-1-6-18-19(13-15)24-8-7-20(18)27-11-9-26(10-12-27)14-21(28)25-17-4-2-16(23)3-5-17/h1-8,13H,9-12,14H2,(H,25,28)
InChIKeyNCIJMROIYXFEOF-UHFFFAOYSA-N
XLogP3.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 9339996) is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is NCIJMROIYXFEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c22-15-1-6-18-19(13-15)24-8-7-20(18)27-11-9-26(10-12-27)14-21(28)25-17-4-2-16(23)3-5-17/h1-8,13H,9-12,14H2,(H,25,28).
What are the key properties of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 398.87 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9339996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).