1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide

C28H34Br2N2 — CID 44423479

IUPAC1-(10-quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide
SMILESC1=CC=C2C(=C1)C=CC=[N+]2CCCCCCCCCC[N+]3=CC=CC4=CC=CC=C43.[Br-].[Br-]
InChIInChI=1S/C28H34N2.2BrH/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30;;/h7-10,13-20,23-24H,1-6,11-12,21-22H2;2*1H/q+2;;/p-2
InChIKeySVUPIHAARRYLRC-UHFFFAOYSA-L
MW558.40 g/mol
LogP—
Rot. Bonds11

About 1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide

1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide (PubChem CID 44423479) has the molecular formula C28H34Br2N2 and a molecular weight of 558.40 g/mol. Its IUPAC name is 1-(10-quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide.

Molecular Properties

Compound Name1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide
PubChem CID44423479
Molecular FormulaC28H34Br2N2
Molecular Weight558.40 g/mol
Exact Mass558.11
IUPAC Name1-(10-quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide
SMILESC1=CC=C2C(=C1)C=CC=[N+]2CCCCCCCCCC[N+]3=CC=CC4=CC=CC=C43.[Br-].[Br-]
InChIInChI=1S/C28H34N2.2BrH/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30;;/h7-10,13-20,23-24H,1-6,11-12,21-22H2;2*1H/q+2;;/p-2
InChIKeySVUPIHAARRYLRC-UHFFFAOYSA-L
XLogP—
TPSA7.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity422

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.40
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-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide?
The IUPAC name of 1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide (CID 44423479) is 1-(10-quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide.
What is the SMILES notation for 1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide?
The canonical SMILES for 1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide is C1=CC=C2C(=C1)C=CC=[N+]2CCCCCCCCCC[N+]3=CC=CC4=CC=CC=C43.[Br-].[Br-].
What is the InChIKey of 1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide?
The InChIKey is SVUPIHAARRYLRC-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H34N2.2BrH/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30;;/h7-10,13-20,23-24H,1-6,11-12,21-22H2;2*1H/q+2;;/p-2.
What are the key properties of 1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide?
1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide has a molecular weight of 558.40 g/mol, XLogP of not available, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-Quinolin-1-ium-1-yldecyl)quinolin-1-ium dibromide is sourced from PubChem (CID 44423479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).