1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine

C23H26N4+2 — CID 10360922

IUPAC1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](CCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12
InChIInChI=1S/C23H24N4/c24-20-12-16-26(22-10-4-2-8-18(20)22)14-6-1-7-15-27-17-13-21(25)19-9-3-5-11-23(19)27/h2-5,8-13,16-17,24-25H,1,6-7,14-15H2/p+2
InChIKeySFEABSNLLLHVKE-UHFFFAOYSA-P
MW358.49 g/mol
LogP3.60
Rot. Bonds6

About 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine

1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine (PubChem CID 10360922) has the molecular formula C23H26N4+2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine
PubChem CID10360922
Molecular FormulaC23H26N4+2
Molecular Weight358.49 g/mol
Exact Mass358.21
IUPAC Name1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](CCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12
InChIInChI=1S/C23H24N4/c24-20-12-16-26(22-10-4-2-8-18(20)22)14-6-1-7-15-27-17-13-21(25)19-9-3-5-11-23(19)27/h2-5,8-13,16-17,24-25H,1,6-7,14-15H2/p+2
InChIKeySFEABSNLLLHVKE-UHFFFAOYSA-P
XLogP3.60
TPSA59.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine?
The IUPAC name of 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine (CID 10360922) is 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine.
What is the SMILES notation for 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine?
The canonical SMILES for 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine is Nc1cc[n+](CCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine?
The InChIKey is SFEABSNLLLHVKE-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H24N4/c24-20-12-16-26(22-10-4-2-8-18(20)22)14-6-1-7-15-27-17-13-21(25)19-9-3-5-11-23(19)27/h2-5,8-13,16-17,24-25H,1,6-7,14-15H2/p+2.
What are the key properties of 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine?
1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine has a molecular weight of 358.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminoquinolin-1-ium-1-yl)pentyl]quinolin-1-ium-4-amine is sourced from PubChem (CID 10360922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).