1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone

C24H26ClFN4O — CID 26318707

IUPAC1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3cc(Cl)ccc3cc2CNCCc2ccccc2F)CC1
InChIInChI=1S/C24H26ClFN4O/c1-17(31)29-10-12-30(13-11-29)24-20(14-19-6-7-21(25)15-23(19)28-24)16-27-9-8-18-4-2-3-5-22(18)26/h2-7,14-15,27H,8-13,16H2,1H3
InChIKeyPVYYOCXVHGYWCS-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.03
Rot. Bonds6

About 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone

1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone (PubChem CID 26318707) has the molecular formula C24H26ClFN4O and a molecular weight of 440.95 g/mol. Its IUPAC name is 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone
PubChem CID26318707
Molecular FormulaC24H26ClFN4O
Molecular Weight440.95 g/mol
Exact Mass440.18
IUPAC Name1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3cc(Cl)ccc3cc2CNCCc2ccccc2F)CC1
InChIInChI=1S/C24H26ClFN4O/c1-17(31)29-10-12-30(13-11-29)24-20(14-19-6-7-21(25)15-23(19)28-24)16-27-9-8-18-4-2-3-5-22(18)26/h2-7,14-15,27H,8-13,16H2,1H3
InChIKeyPVYYOCXVHGYWCS-UHFFFAOYSA-N
XLogP4.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 29241212
ethyl 4-[3-[[2-(4-chlorophenyl)ethylamino]methyl]-6-methylquinolin-2-yl]piperazine-1-carboxylate
CID 25327558
1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone
CID 28965186
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 118758265
1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 45228706
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109254758
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477
1-[4-[2-[2-(2-fluorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254624
2-[2-(2-fluorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109000150
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone (CID 26318707) is 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc3cc(Cl)ccc3cc2CNCCc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is PVYYOCXVHGYWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O/c1-17(31)29-10-12-30(13-11-29)24-20(14-19-6-7-21(25)15-23(19)28-24)16-27-9-8-18-4-2-3-5-22(18)26/h2-7,14-15,27H,8-13,16H2,1H3.
What are the key properties of 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone?
1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 440.95 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 26318707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).