2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone

C24H25FN4O — CID 157268874

IUPAC2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone
SMILESNc1ccc(F)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1
InChIInChI=1S/C24H25FN4O/c25-19-4-5-20(26)17(12-19)13-22(30)18-11-16-3-6-21(29-9-7-27-8-10-29)23(15-1-2-15)24(16)28-14-18/h3-6,11-12,14-15,27H,1-2,7-10,13,26H2
InChIKeyIMUHRMOIAUPRFN-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.67
Rot. Bonds5

About 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone

2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone (PubChem CID 157268874) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone
PubChem CID157268874
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone
SMILESNc1ccc(F)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1
InChIInChI=1S/C24H25FN4O/c25-19-4-5-20(26)17(12-19)13-22(30)18-11-16-3-6-21(29-9-7-27-8-10-29)23(15-1-2-15)24(16)28-14-18/h3-6,11-12,14-15,27H,1-2,7-10,13,26H2
InChIKeyIMUHRMOIAUPRFN-UHFFFAOYSA-N
XLogP3.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone
CID 159109918
2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone
CID 161381166
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
8-cyclopropyl-7-piperazin-1-ylisoquinoline-3-carbaldehyde
CID 144679362
2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone
CID 147842204
2-(5-nitro-2-piperazin-1-ylphenyl)pyrimidine-4,5-diamine
CID 175308843
3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
CID 166082493
2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide
CID 140866616
2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone
CID 148807592
5-fluoro-2-piperazin-1-ylbenzenesulfonic acid
CID 86209670
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone?
The IUPAC name of 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone (CID 157268874) is 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone is Nc1ccc(F)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCNCC3)ccc2c1.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone?
The InChIKey is IMUHRMOIAUPRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-19-4-5-20(26)17(12-19)13-22(30)18-11-16-3-6-21(29-9-7-27-8-10-29)23(15-1-2-15)24(16)28-14-18/h3-6,11-12,14-15,27H,1-2,7-10,13,26H2.
What are the key properties of 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone?
2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone has a molecular weight of 404.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone is sourced from PubChem (CID 157268874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).