N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide

C23H24ClFN4O — CID 121328340

IUPACN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H24ClFN4O/c1-2-21(23(30)27-18-6-3-16(24)4-7-18)28-11-13-29(14-12-28)22-9-10-26-20-8-5-17(25)15-19(20)22/h3-10,15,21H,2,11-14H2,1H3,(H,27,30)
InChIKeyPNPWTPROUPRORV-UHFFFAOYSA-N
MW426.92 g/mol
LogP4.57
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide

N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide (PubChem CID 121328340) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
PubChem CID121328340
Molecular FormulaC23H24ClFN4O
Molecular Weight426.92 g/mol
Exact Mass426.16
IUPAC NameN-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide
SMILESCCC(C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H24ClFN4O/c1-2-21(23(30)27-18-6-3-16(24)4-7-18)28-11-13-29(14-12-28)22-9-10-26-20-8-5-17(25)15-19(20)22/h3-10,15,21H,2,11-14H2,1H3,(H,27,30)
InChIKeyPNPWTPROUPRORV-UHFFFAOYSA-N
XLogP4.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide (CID 121328340) is N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide is CCC(C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide?
The InChIKey is PNPWTPROUPRORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c1-2-21(23(30)27-18-6-3-16(24)4-7-18)28-11-13-29(14-12-28)22-9-10-26-20-8-5-17(25)15-19(20)22/h3-10,15,21H,2,11-14H2,1H3,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide?
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide has a molecular weight of 426.92 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperazin-1-yl]butanamide is sourced from PubChem (CID 121328340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).