N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine

C21H24ClN5 — CID 127044051

IUPACN'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H24ClN5/c22-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21-15-20(24-10-9-23)18-3-1-2-4-19(18)25-21/h1-8,15H,9-14,23H2,(H,24,25)
InChIKeyXAVOEUTYUIUPNO-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.59
Rot. Bonds5

About N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine

N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine (PubChem CID 127044051) has the molecular formula C21H24ClN5 and a molecular weight of 381.91 g/mol. Its IUPAC name is N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine
PubChem CID127044051
Molecular FormulaC21H24ClN5
Molecular Weight381.91 g/mol
Exact Mass381.17
IUPAC NameN'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C21H24ClN5/c22-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21-15-20(24-10-9-23)18-3-1-2-4-19(18)25-21/h1-8,15H,9-14,23H2,(H,24,25)
InChIKeyXAVOEUTYUIUPNO-UHFFFAOYSA-N
XLogP3.59
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine 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-(4-chlorophenyl)ethanone
CID 127043347
N'-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
CID 71262272
1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 127045321
N'-[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
CID 71255202
N'-[2-(7-bromo-1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
CID 123828037
6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline
CID 3619803
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
6-chloro-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 91938150
[2-[4-(2-aminoethylamino)quinolin-2-yl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl] hydrogen carbonate
CID 118363729
6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 91938165
N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91938185
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine (CID 127044051) is N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine is NCCNc1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12.
What is the InChIKey of N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is XAVOEUTYUIUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5/c22-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21-15-20(24-10-9-23)18-3-1-2-4-19(18)25-21/h1-8,15H,9-14,23H2,(H,24,25).
What are the key properties of N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine?
N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 381.91 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-chlorophenyl)piperazin-1-yl]quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 127044051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).