(2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide

C20H17IN2 — CID 171377083

IUPAC(2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide
SMILESCN1/C(=C\C=C2/C=Nc3ccccc32)C=Cc2ccccc21.I
InChIInChI=1S/C20H16N2.HI/c1-22-17(12-10-15-6-2-5-9-20(15)22)13-11-16-14-21-19-8-4-3-7-18(16)19;/h2-14H,1H3;1H/b16-11+,17-13-;
InChIKeyMDMOCSQQUMCIHG-LAVIIQJZSA-N
MW412.27 g/mol
LogP5.45
Rot. Bonds1

About (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide

(2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide (PubChem CID 171377083) has the molecular formula C20H17IN2 and a molecular weight of 412.27 g/mol. Its IUPAC name is (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide.

Molecular Properties

Compound Name(2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide
PubChem CID171377083
Molecular FormulaC20H17IN2
Molecular Weight412.27 g/mol
Exact Mass412.04
IUPAC Name(2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide
SMILESCN1/C(=C\C=C2/C=Nc3ccccc32)C=Cc2ccccc21.I
InChIInChI=1S/C20H16N2.HI/c1-22-17(12-10-15-6-2-5-9-20(15)22)13-11-16-14-21-19-8-4-3-7-18(16)19;/h2-14H,1H3;1H/b16-11+,17-13-;
InChIKeyMDMOCSQQUMCIHG-LAVIIQJZSA-N
XLogP5.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.27
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylquinolin-2-ylidene)acetaldehyde
CID 4702150
2-[2-(1-methylquinolin-2-ylidene)ethylidene]propanedioic acid
CID 159863525
2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol
CID 129348236
(2Z)-1-methyl-2-(2-methylprop-2-enylidene)quinoline
CID 144960539
1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide
CID 131666989
(3Z)-3-[(E)-3-phenylprop-2-enylidene]indole
CID 6158640
(2E)-1-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline
CID 6509016
ethane;1-methyl-2-[3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline
CID 54461057
(3Z)-3-(2-phenylethylidene)indole
CID 135017063
5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol
CID 136691181
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one
CID 54603064

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide?
The IUPAC name of (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide (CID 171377083) is (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide.
What is the SMILES notation for (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide?
The canonical SMILES for (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide is CN1/C(=C\C=C2/C=Nc3ccccc32)C=Cc2ccccc21.I.
What is the InChIKey of (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide?
The InChIKey is MDMOCSQQUMCIHG-LAVIIQJZSA-N. The full InChI is InChI=1S/C20H16N2.HI/c1-22-17(12-10-15-6-2-5-9-20(15)22)13-11-16-14-21-19-8-4-3-7-18(16)19;/h2-14H,1H3;1H/b16-11+,17-13-;.
What are the key properties of (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide?
(2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide has a molecular weight of 412.27 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline;hydroiodide is sourced from PubChem (CID 171377083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).