1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone

C23H26ClN5O — CID 127043347

IUPAC1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
SMILESNCCNc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C23H26ClN5O/c24-18-7-5-17(6-8-18)15-23(30)29-13-11-28(12-14-29)22-16-21(26-10-9-25)19-3-1-2-4-20(19)27-22/h1-8,16H,9-15,25H2,(H,26,27)
InChIKeyFFESYDGJYFHPTQ-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.15
Rot. Bonds6

About 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone

1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone (PubChem CID 127043347) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
PubChem CID127043347
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone
SMILESNCCNc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C23H26ClN5O/c24-18-7-5-17(6-8-18)15-23(30)29-13-11-28(12-14-29)22-16-21(26-10-9-25)19-3-1-2-4-20(19)27-22/h1-8,16H,9-15,25H2,(H,26,27)
InChIKeyFFESYDGJYFHPTQ-UHFFFAOYSA-N
XLogP3.15
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone 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

1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 127045321
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine
CID 127044051
2-(4-chlorophenyl)-1-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56921521
1-[4-[2-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720194
2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
CID 87017628
N'-[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
CID 71255202
3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one
CID 90988226
N'-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
CID 71262272
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
2-(4-chlorophenyl)-1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71800021
2-(4-chlorophenyl)-1-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121032003
1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720193

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone (CID 127043347) is 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone is NCCNc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2ccccc12.
What is the InChIKey of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone?
The InChIKey is FFESYDGJYFHPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c24-18-7-5-17(6-8-18)15-23(30)29-13-11-28(12-14-29)22-16-21(26-10-9-25)19-3-1-2-4-20(19)27-22/h1-8,16H,9-15,25H2,(H,26,27).
What are the key properties of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone?
1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone has a molecular weight of 423.95 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 127043347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).