1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine

C26H32N4+2 — CID 10842005

IUPAC1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](CCCCCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12
InChIInChI=1S/C26H30N4/c27-23-15-19-29(25-13-7-5-11-21(23)25)17-9-3-1-2-4-10-18-30-20-16-24(28)22-12-6-8-14-26(22)30/h5-8,11-16,19-20,27-28H,1-4,9-10,17-18H2/p+2
InChIKeyJRYVUXMSOSPFAH-UHFFFAOYSA-P
MW400.57 g/mol
LogP4.77
Rot. Bonds9

About 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine

1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine (PubChem CID 10842005) has the molecular formula C26H32N4+2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine
PubChem CID10842005
Molecular FormulaC26H32N4+2
Molecular Weight400.57 g/mol
Exact Mass400.26
IUPAC Name1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](CCCCCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12
InChIInChI=1S/C26H30N4/c27-23-15-19-29(25-13-7-5-11-21(23)25)17-9-3-1-2-4-10-18-30-20-16-24(28)22-12-6-8-14-26(22)30/h5-8,11-16,19-20,27-28H,1-4,9-10,17-18H2/p+2
InChIKeyJRYVUXMSOSPFAH-UHFFFAOYSA-P
XLogP4.77
TPSA59.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.77
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-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine?
The IUPAC name of 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine (CID 10842005) is 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine.
What is the SMILES notation for 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine?
The canonical SMILES for 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine is Nc1cc[n+](CCCCCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine?
The InChIKey is JRYVUXMSOSPFAH-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H30N4/c27-23-15-19-29(25-13-7-5-11-21(23)25)17-9-3-1-2-4-10-18-30-20-16-24(28)22-12-6-8-14-26(22)30/h5-8,11-16,19-20,27-28H,1-4,9-10,17-18H2/p+2.
What are the key properties of 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine?
1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine has a molecular weight of 400.57 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine is sourced from PubChem (CID 10842005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).