N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine

C23H29N5 — CID 156642138

IUPACN-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
SMILESCNCCCNc1cc(-c2ccc(N3CCNCC3)cc2)nc2ccccc12
InChIInChI=1S/C23H29N5/c1-24-11-4-12-26-23-17-22(27-21-6-3-2-5-20(21)23)18-7-9-19(10-8-18)28-15-13-25-14-16-28/h2-3,5-10,17,24-25H,4,11-16H2,1H3,(H,26,27)
InChIKeyJOELBEKPKSRDDL-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.33
Rot. Bonds7

About N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine

N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine (PubChem CID 156642138) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
PubChem CID156642138
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC NameN-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
SMILESCNCCCNc1cc(-c2ccc(N3CCNCC3)cc2)nc2ccccc12
InChIInChI=1S/C23H29N5/c1-24-11-4-12-26-23-17-22(27-21-6-3-2-5-20(21)23)18-7-9-19(10-8-18)28-15-13-25-14-16-28/h2-3,5-10,17,24-25H,4,11-16H2,1H3,(H,26,27)
InChIKeyJOELBEKPKSRDDL-UHFFFAOYSA-N
XLogP3.33
TPSA52.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine (CID 156642138) is N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine is CNCCCNc1cc(-c2ccc(N3CCNCC3)cc2)nc2ccccc12.
What is the InChIKey of N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine?
The InChIKey is JOELBEKPKSRDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-24-11-4-12-26-23-17-22(27-21-6-3-2-5-20(21)23)18-7-9-19(10-8-18)28-15-13-25-14-16-28/h2-3,5-10,17,24-25H,4,11-16H2,1H3,(H,26,27).
What are the key properties of N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine?
N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine has a molecular weight of 375.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 156642138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).