4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide

C24H22INO2 — CID 54612282

IUPAC4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide
SMILESCCOc1ccc2c(ccc(/C=C\c3ccc(O)c4ccccc34)[n+]2C)c1.[I-]
InChIInChI=1S/C24H21NO2.HI/c1-3-27-20-13-14-23-18(16-20)9-12-19(25(23)2)11-8-17-10-15-24(26)22-7-5-4-6-21(17)22;/h4-16H,3H2,1-2H3;1H
InChIKeyXHICVSRMNFEEII-UHFFFAOYSA-N
MW483.35 g/mol
LogP2.10
Rot. Bonds4

About 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide

4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide (PubChem CID 54612282) has the molecular formula C24H22INO2 and a molecular weight of 483.35 g/mol. Its IUPAC name is 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide.

Molecular Properties

Compound Name4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide
PubChem CID54612282
Molecular FormulaC24H22INO2
Molecular Weight483.35 g/mol
Exact Mass483.07
IUPAC Name4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide
SMILESCCOc1ccc2c(ccc(/C=C\c3ccc(O)c4ccccc34)[n+]2C)c1.[I-]
InChIInChI=1S/C24H21NO2.HI/c1-3-27-20-13-14-23-18(16-20)9-12-19(25(23)2)11-8-17-10-15-24(26)22-7-5-4-6-21(17)22;/h4-16H,3H2,1-2H3;1H
InChIKeyXHICVSRMNFEEII-UHFFFAOYSA-N
XLogP2.10
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 52.10
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-(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
6-ethoxy-2-[2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium
CID 4155025
4-[2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N-(4-ethoxyphenyl)-N-methylaniline
CID 5064077
4-[2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 4088723
2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol
CID 91055292
4-[(E)-2-naphthalen-1-ylethenyl]naphthalen-1-ol
CID 139980470
2-ethoxynaphthalene
CID 118978197
2-[2-(8-hydroxyquinolin-5-yl)ethenyl]-1-methylquinolin-1-ium-8-ol chloride
CID 137221718
2-[2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methylquinolin-1-ium iodide
CID 70577732
5-(6-ethoxynaphthalen-2-yl)-2-hydroxybenzaldehyde
CID 122358652
2,6-diethoxyanthracene
CID 12651989

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide?
The IUPAC name of 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide (CID 54612282) is 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide.
What is the SMILES notation for 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide?
The canonical SMILES for 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide is CCOc1ccc2c(ccc(/C=C\c3ccc(O)c4ccccc34)[n+]2C)c1.[I-].
What is the InChIKey of 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide?
The InChIKey is XHICVSRMNFEEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2.HI/c1-3-27-20-13-14-23-18(16-20)9-12-19(25(23)2)11-8-17-10-15-24(26)22-7-5-4-6-21(17)22;/h4-16H,3H2,1-2H3;1H.
What are the key properties of 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide?
4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide has a molecular weight of 483.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]naphthalen-1-ol iodide is sourced from PubChem (CID 54612282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).