1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine

C30H26N4+2 — CID 10793716

IUPAC1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](Cc2ccc3cc(C[n+]4ccc(N)c5ccccc54)ccc3c2)c2ccccc12
InChIInChI=1S/C30H24N4/c31-27-13-15-33(29-7-3-1-5-25(27)29)19-21-9-11-24-18-22(10-12-23(24)17-21)20-34-16-14-28(32)26-6-2-4-8-30(26)34/h1-18,31-32H,19-20H2/p+2
InChIKeyZPFYPMBAIVZDGR-UHFFFAOYSA-P
MW442.57 g/mol
LogP4.98
Rot. Bonds4

About 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine

1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine (PubChem CID 10793716) has the molecular formula C30H26N4+2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine
PubChem CID10793716
Molecular FormulaC30H26N4+2
Molecular Weight442.57 g/mol
Exact Mass442.21
IUPAC Name1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine
SMILESNc1cc[n+](Cc2ccc3cc(C[n+]4ccc(N)c5ccccc54)ccc3c2)c2ccccc12
InChIInChI=1S/C30H24N4/c31-27-13-15-33(29-7-3-1-5-25(27)29)19-21-9-11-24-18-22(10-12-23(24)17-21)20-34-16-14-28(32)26-6-2-4-8-30(26)34/h1-18,31-32H,19-20H2/p+2
InChIKeyZPFYPMBAIVZDGR-UHFFFAOYSA-P
XLogP4.98
TPSA59.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.98
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-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine?
The IUPAC name of 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine (CID 10793716) is 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine.
What is the SMILES notation for 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine?
The canonical SMILES for 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine is Nc1cc[n+](Cc2ccc3cc(C[n+]4ccc(N)c5ccccc54)ccc3c2)c2ccccc12.
What is the InChIKey of 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine?
The InChIKey is ZPFYPMBAIVZDGR-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H24N4/c31-27-13-15-33(29-7-3-1-5-25(27)29)19-21-9-11-24-18-22(10-12-23(24)17-21)20-34-16-14-28(32)26-6-2-4-8-30(26)34/h1-18,31-32H,19-20H2/p+2.
What are the key properties of 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine?
1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine has a molecular weight of 442.57 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(4-aminoquinolin-1-ium-1-yl)methyl]naphthalen-2-yl]methyl]quinolin-1-ium-4-amine is sourced from PubChem (CID 10793716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).