4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide

C26H30Br2N2 — CID 51063224

IUPAC4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide
SMILESCc1cc[n+](CCCCCC[n+]2ccc(C)c3ccccc32)c2ccccc12.[Br-].[Br-]
InChIInChI=1S/C26H30N2.2BrH/c1-21-15-19-27(25-13-7-5-11-23(21)25)17-9-3-4-10-18-28-20-16-22(2)24-12-6-8-14-26(24)28;;/h5-8,11-16,19-20H,3-4,9-10,17-18H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyKJFYZFHLKOXXQI-UHFFFAOYSA-L
MW530.35 g/mol
LogP-0.55
Rot. Bonds7

About 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide

4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide (PubChem CID 51063224) has the molecular formula C26H30Br2N2 and a molecular weight of 530.35 g/mol. Its IUPAC name is 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide.

Molecular Properties

Compound Name4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide
PubChem CID51063224
Molecular FormulaC26H30Br2N2
Molecular Weight530.35 g/mol
Exact Mass528.08
IUPAC Name4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide
SMILESCc1cc[n+](CCCCCC[n+]2ccc(C)c3ccccc32)c2ccccc12.[Br-].[Br-]
InChIInChI=1S/C26H30N2.2BrH/c1-21-15-19-27(25-13-7-5-11-23(21)25)17-9-3-4-10-18-28-20-16-22(2)24-12-6-8-14-26(24)28;;/h5-8,11-16,19-20H,3-4,9-10,17-18H2,1-2H3;2*1H/q+2;;/p-2
InChIKeyKJFYZFHLKOXXQI-UHFFFAOYSA-L
XLogP-0.55
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide with MolForge

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Related Compounds

4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium
CID 3093348
4-methyl-1-pentylquinolin-1-ium
CID 86110329
3-(4-methylquinolin-1-ium-1-yl)propan-1-amine
CID 59274376
6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide
CID 67262652
S-[10-(4-methylquinolin-1-ium-1-yl)decyl] ethanethioate iodide
CID 71361675
1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine
CID 10842005
4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium
CID 67367495
2-(4-methylquinolin-1-ium-1-yl)acetic acid bromide
CID 126572963
2-(4-methylquinolin-1-ium-1-yl)acetic acid
CID 20566432
(2R)-3-(4-methylquinolin-1-ium-1-yl)propane-1,2-diol bromide
CID 46223673
2-(4-methylquinolin-1-ium-1-yl)acetamide
CID 3277124
3-(4-methylquinolin-1-ium-1-yl)-2-oxopropanoic acid
CID 118032991

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide?
The IUPAC name of 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide (CID 51063224) is 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide.
What is the SMILES notation for 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide?
The canonical SMILES for 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide is Cc1cc[n+](CCCCCC[n+]2ccc(C)c3ccccc32)c2ccccc12.[Br-].[Br-].
What is the InChIKey of 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide?
The InChIKey is KJFYZFHLKOXXQI-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H30N2.2BrH/c1-21-15-19-27(25-13-7-5-11-23(21)25)17-9-3-4-10-18-28-20-16-22(2)24-12-6-8-14-26(24)28;;/h5-8,11-16,19-20H,3-4,9-10,17-18H2,1-2H3;2*1H/q+2;;/p-2.
What are the key properties of 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide?
4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide has a molecular weight of 530.35 g/mol, XLogP of -0.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide is sourced from PubChem (CID 51063224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).