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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 155419805
4-chloro-N-[3-[2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonan-7-yl]pent-1-en-2-yl]aniline
CID 160704771
1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one
CID 162228825
N-(4-chlorophenyl)-2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 155419801
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
(2R,6S)-N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-6-hydroxy-2-methylnonanamide
CID 155416456
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442

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).