7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide

C23H21IN2O — CID 135801356

IUPAC7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide
SMILESCc1ccc2c(ccc(/C=C/c3cc(C)c4cccnc4c3O)[n+]2C)c1.[I-]
InChIInChI=1S/C23H20N2O.HI/c1-15-6-11-21-17(13-15)7-9-19(25(21)3)10-8-18-14-16(2)20-5-4-12-24-22(20)23(18)26;/h4-14H,1-3H3;1H
InChIKeyMICXGHNXBHRCKJ-UHFFFAOYSA-N
MW468.34 g/mol
LogP1.71
Rot. Bonds2

About 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide

7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide (PubChem CID 135801356) has the molecular formula C23H21IN2O and a molecular weight of 468.34 g/mol. Its IUPAC name is 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide.

Molecular Properties

Compound Name7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide
PubChem CID135801356
Molecular FormulaC23H21IN2O
Molecular Weight468.34 g/mol
Exact Mass468.07
IUPAC Name7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide
SMILESCc1ccc2c(ccc(/C=C/c3cc(C)c4cccnc4c3O)[n+]2C)c1.[I-]
InChIInChI=1S/C23H20N2O.HI/c1-15-6-11-21-17(13-15)7-9-19(25(21)3)10-8-18-14-16(2)20-5-4-12-24-22(20)23(18)26;/h4-14H,1-3H3;1H
InChIKeyMICXGHNXBHRCKJ-UHFFFAOYSA-N
XLogP1.71
TPSA37.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
CID 135483953
7-[(E)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide
CID 135488971
7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
CID 135485442
7-[(E)-2-(8-hydroxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol;methyl hydrogen sulfate
CID 135573480
5,7-dimethylquinolin-8-ol
CID 118341298
2-[2-(8-hydroxyquinolin-5-yl)ethenyl]-1-methylquinolin-1-ium-8-ol chloride
CID 137221718
7-fluoro-5-methylquinolin-8-ol
CID 59613713
2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1,6-dimethylquinolin-1-ium chloride
CID 169424186
4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide
CID 54612282
2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol
CID 91055292
bis(8-hydroxy-5-[(4-methylphenyl)diazenyl]quinoline-7-carbaldehyde);nickel
CID 135545236
8-hydroxy-5-methylquinoline-7-carboxamide
CID 21271433

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide?
The IUPAC name of 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide (CID 135801356) is 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide.
What is the SMILES notation for 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide?
The canonical SMILES for 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide is Cc1ccc2c(ccc(/C=C/c3cc(C)c4cccnc4c3O)[n+]2C)c1.[I-].
What is the InChIKey of 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide?
The InChIKey is MICXGHNXBHRCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O.HI/c1-15-6-11-21-17(13-15)7-9-19(25(21)3)10-8-18-14-16(2)20-5-4-12-24-22(20)23(18)26;/h4-14H,1-3H3;1H.
What are the key properties of 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide?
7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide has a molecular weight of 468.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-(1,6-dimethylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol iodide is sourced from PubChem (CID 135801356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).