1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine

C32H28N4+2 — CID 10580530

IUPAC1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12
InChIInChI=1S/C32H26N4/c33-29-17-19-35(31-7-3-1-5-27(29)31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-36-20-18-30(34)28-6-2-4-8-32(28)36/h1-20,33-34H,21-22H2/p+2
InChIKeyBJOSVLNMVXPCHZ-UHFFFAOYSA-P
MW468.60 g/mol
LogP5.50
Rot. Bonds5

About 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine

1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine (PubChem CID 10580530) has the molecular formula C32H28N4+2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine
PubChem CID10580530
Molecular FormulaC32H28N4+2
Molecular Weight468.60 g/mol
Exact Mass468.23
IUPAC Name1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12
InChIInChI=1S/C32H26N4/c33-29-17-19-35(31-7-3-1-5-27(29)31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-36-20-18-30(34)28-6-2-4-8-32(28)36/h1-20,33-34H,21-22H2/p+2
InChIKeyBJOSVLNMVXPCHZ-UHFFFAOYSA-P
XLogP5.50
TPSA59.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine?
The IUPAC name of 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine (CID 10580530) is 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine.
What is the SMILES notation for 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine?
The canonical SMILES for 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine is Nc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12.
What is the InChIKey of 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine?
The InChIKey is BJOSVLNMVXPCHZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C32H26N4/c33-29-17-19-35(31-7-3-1-5-27(29)31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-36-20-18-30(34)28-6-2-4-8-32(28)36/h1-20,33-34H,21-22H2/p+2.
What are the key properties of 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine?
1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine has a molecular weight of 468.60 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine is sourced from PubChem (CID 10580530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).