7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol

C24H23N2O2+ — CID 135485442

IUPAC7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
SMILESCCOc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1
InChIInChI=1S/C24H22N2O2/c1-4-28-20-11-12-22-17(15-20)7-9-19(26(22)3)10-8-18-14-16(2)21-6-5-13-25-23(21)24(18)27/h5-15H,4H2,1-3H3/p+1
InChIKeyVWLPEJSPURQONM-UHFFFAOYSA-O
MW371.46 g/mol
LogP4.80
Rot. Bonds4

About 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol

7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol (PubChem CID 135485442) has the molecular formula C24H23N2O2+ and a molecular weight of 371.46 g/mol. Its IUPAC name is 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
PubChem CID135485442
Molecular FormulaC24H23N2O2+
Molecular Weight371.46 g/mol
Exact Mass371.18
IUPAC Name7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol
SMILESCCOc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1
InChIInChI=1S/C24H22N2O2/c1-4-28-20-11-12-22-17(15-20)7-9-19(26(22)3)10-8-18-14-16(2)21-6-5-13-25-23(21)24(18)27/h5-15H,4H2,1-3H3/p+1
InChIKeyVWLPEJSPURQONM-UHFFFAOYSA-O
XLogP4.80
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol?
The IUPAC name of 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol (CID 135485442) is 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol.
What is the SMILES notation for 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol?
The canonical SMILES for 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol is CCOc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1.
What is the InChIKey of 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol?
The InChIKey is VWLPEJSPURQONM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H22N2O2/c1-4-28-20-11-12-22-17(15-20)7-9-19(26(22)3)10-8-18-14-16(2)21-6-5-13-25-23(21)24(18)27/h5-15H,4H2,1-3H3/p+1.
What are the key properties of 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol?
7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol has a molecular weight of 371.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol is sourced from PubChem (CID 135485442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).