5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol

C24H25N2O+ — CID 135573484

IUPAC5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol
SMILESCc1cccc2c1[N+](C)=C(/C=C/c1cc(C)c3cccnc3c1O)C2(C)C
InChIInChI=1S/C24H24N2O/c1-15-8-6-10-19-22(15)26(5)20(24(19,3)4)12-11-17-14-16(2)18-9-7-13-25-21(18)23(17)27/h6-14H,1-5H3/p+1
InChIKeyOEVCEUGMDHKWCQ-UHFFFAOYSA-O
MW357.48 g/mol
LogP5.28
Rot. Bonds2

About 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol

5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol (PubChem CID 135573484) has the molecular formula C24H25N2O+ and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol
PubChem CID135573484
Molecular FormulaC24H25N2O+
Molecular Weight357.48 g/mol
Exact Mass357.20
IUPAC Name5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol
SMILESCc1cccc2c1[N+](C)=C(/C=C/c1cc(C)c3cccnc3c1O)C2(C)C
InChIInChI=1S/C24H24N2O/c1-15-8-6-10-19-22(15)26(5)20(24(19,3)4)12-11-17-14-16(2)18-9-7-13-25-21(18)23(17)27/h6-14H,1-5H3/p+1
InChIKeyOEVCEUGMDHKWCQ-UHFFFAOYSA-O
XLogP5.28
TPSA36.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol with MolForge

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Related Compounds

5-Methyl-8-hydroxyquinoline
CID 71208
5-(N-methyl-N-propargylaminomethyl)-8-hydroxyquinoline
CID 6918822
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
CID 3129244
5-(4-Morpholinylmethyl)-8-quinolinol
CID 1090303
5-(Hydroxymethyl)quinolin-8-ol
CID 675786
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
N-[[4-(diethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
CID 2920952
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
N-[(4-dimethylaminophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129247

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol?
The IUPAC name of 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol (CID 135573484) is 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol?
The canonical SMILES for 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol is Cc1cccc2c1[N+](C)=C(/C=C/c1cc(C)c3cccnc3c1O)C2(C)C.
What is the InChIKey of 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol?
The InChIKey is OEVCEUGMDHKWCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N2O/c1-15-8-6-10-19-22(15)26(5)20(24(19,3)4)12-11-17-14-16(2)18-9-7-13-25-21(18)23(17)27/h6-14H,1-5H3/p+1.
What are the key properties of 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol?
5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol has a molecular weight of 357.48 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(E)-2-(1,3,3,7-tetramethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 135573484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).