1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine

C32H44N4+2 — CID 10074081

IUPAC1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine
SMILESCN(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)C)c3ccccc32)c2ccccc12
InChIInChI=1S/C32H44N4/c1-33(2)29-21-25-35(31-19-13-11-17-27(29)31)23-15-9-7-5-6-8-10-16-24-36-26-22-30(34(3)4)28-18-12-14-20-32(28)36/h11-14,17-22,25-26H,5-10,15-16,23-24H2,1-4H3/q+2
InChIKeyWKUWQOOBTXYONE-UHFFFAOYSA-N
MW484.73 g/mol
LogP6.52
Rot. Bonds13

About 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine

1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine (PubChem CID 10074081) has the molecular formula C32H44N4+2 and a molecular weight of 484.73 g/mol. Its IUPAC name is 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine.

Molecular Properties

Compound Name1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine
PubChem CID10074081
Molecular FormulaC32H44N4+2
Molecular Weight484.73 g/mol
Exact Mass484.36
IUPAC Name1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine
SMILESCN(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)C)c3ccccc32)c2ccccc12
InChIInChI=1S/C32H44N4/c1-33(2)29-21-25-35(31-19-13-11-17-27(29)31)23-15-9-7-5-6-8-10-16-24-36-26-22-30(34(3)4)28-18-12-14-20-32(28)36/h11-14,17-22,25-26H,5-10,15-16,23-24H2,1-4H3/q+2
InChIKeyWKUWQOOBTXYONE-UHFFFAOYSA-N
XLogP6.52
TPSA14.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 56.52
H-Bond Donors ≤ 50
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-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine?
The IUPAC name of 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine (CID 10074081) is 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine.
What is the SMILES notation for 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine?
The canonical SMILES for 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine is CN(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)C)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine?
The InChIKey is WKUWQOOBTXYONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4/c1-33(2)29-21-25-35(31-19-13-11-17-27(29)31)23-15-9-7-5-6-8-10-16-24-36-26-22-30(34(3)4)28-18-12-14-20-32(28)36/h11-14,17-22,25-26H,5-10,15-16,23-24H2,1-4H3/q+2.
What are the key properties of 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine?
1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine has a molecular weight of 484.73 g/mol, XLogP of 6.52, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine is sourced from PubChem (CID 10074081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).