4-iodo-1,2-dimethylquinolin-1-ium

C11H11IN+ — CID 121219161

IUPAC4-iodo-1,2-dimethylquinolin-1-ium
SMILESCc1cc(I)c2ccccc2[n+]1C
InChIInChI=1S/C11H11IN/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7H,1-2H3/q+1
InChIKeyMITSWTONWLCVRH-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.58
Rot. Bonds

About 4-iodo-1,2-dimethylquinolin-1-ium

4-iodo-1,2-dimethylquinolin-1-ium (PubChem CID 121219161) has the molecular formula C11H11IN+ and a molecular weight of 284.12 g/mol. Its IUPAC name is 4-iodo-1,2-dimethylquinolin-1-ium.

Molecular Properties

Compound Name4-iodo-1,2-dimethylquinolin-1-ium
PubChem CID121219161
Molecular FormulaC11H11IN+
Molecular Weight284.12 g/mol
Exact Mass283.99
IUPAC Name4-iodo-1,2-dimethylquinolin-1-ium
SMILESCc1cc(I)c2ccccc2[n+]1C
InChIInChI=1S/C11H11IN/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7H,1-2H3/q+1
InChIKeyMITSWTONWLCVRH-UHFFFAOYSA-N
XLogP2.58
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1,2-dimethylquinolin-1-ium
CID 3299774
4-methoxy-1,2-dimethylquinolin-1-ium iodide
CID 18006525
4-chloro-1,2-dimethylquinolin-1-ium;sulfuric acid
CID 70632360
9-(2-iodophenyl)-10-methylacridin-10-ium tetrafluoroborate
CID 170533259
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
8-methoxy-5,6-dimethylphenanthridin-5-ium bromide
CID 24841243
3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol
CID 154709083
2-iodo-1,4-dimethylnaphthalene
CID 70312090
5,6,9,10-tetramethylphenanthridin-5-ium
CID 157300513
9-acridin-10-ium-9-yl-10-methylacridin-10-ium
CID 143723740
2,3,5,6-tetramethylphenanthridin-5-ium
CID 160890914
10-methylacridin-10-ium-9-carboxylic acid;yttrium
CID 167515495

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,2-dimethylquinolin-1-ium?
The IUPAC name of 4-iodo-1,2-dimethylquinolin-1-ium (CID 121219161) is 4-iodo-1,2-dimethylquinolin-1-ium.
What is the SMILES notation for 4-iodo-1,2-dimethylquinolin-1-ium?
The canonical SMILES for 4-iodo-1,2-dimethylquinolin-1-ium is Cc1cc(I)c2ccccc2[n+]1C.
What is the InChIKey of 4-iodo-1,2-dimethylquinolin-1-ium?
The InChIKey is MITSWTONWLCVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7H,1-2H3/q+1.
What are the key properties of 4-iodo-1,2-dimethylquinolin-1-ium?
4-iodo-1,2-dimethylquinolin-1-ium has a molecular weight of 284.12 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,2-dimethylquinolin-1-ium is sourced from PubChem (CID 121219161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).