1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide

C30H24Br2N2 — CID 54580376

IUPAC1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide
SMILES[Br-].[Br-].c1ccc2c(c1)ccc[n+]2Cc1ccc2ccc(C[n+]3cccc4ccccc43)cc2c1
InChIInChI=1S/C30H24N2.2BrH/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32;;/h1-20H,21-22H2;2*1H/q+2;;/p-2
InChIKeyRLVIMVBYHWPKNP-UHFFFAOYSA-L
MW572.34 g/mol
LogP-0.17
Rot. Bonds4

About 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide

1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide (PubChem CID 54580376) has the molecular formula C30H24Br2N2 and a molecular weight of 572.34 g/mol. Its IUPAC name is 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide.

Molecular Properties

Compound Name1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide
PubChem CID54580376
Molecular FormulaC30H24Br2N2
Molecular Weight572.34 g/mol
Exact Mass570.03
IUPAC Name1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide
SMILES[Br-].[Br-].c1ccc2c(c1)ccc[n+]2Cc1ccc2ccc(C[n+]3cccc4ccccc43)cc2c1
InChIInChI=1S/C30H24N2.2BrH/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32;;/h1-20H,21-22H2;2*1H/q+2;;/p-2
InChIKeyRLVIMVBYHWPKNP-UHFFFAOYSA-L
XLogP-0.17
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide?
The IUPAC name of 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide (CID 54580376) is 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide.
What is the SMILES notation for 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide?
The canonical SMILES for 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide is [Br-].[Br-].c1ccc2c(c1)ccc[n+]2Cc1ccc2ccc(C[n+]3cccc4ccccc43)cc2c1.
What is the InChIKey of 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide?
The InChIKey is RLVIMVBYHWPKNP-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H24N2.2BrH/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32;;/h1-20H,21-22H2;2*1H/q+2;;/p-2.
What are the key properties of 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide?
1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide has a molecular weight of 572.34 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(quinolin-1-ium-1-ylmethyl)naphthalen-2-yl]methyl]quinolin-1-ium dibromide is sourced from PubChem (CID 54580376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).