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

C20H16N2 — CID 53319349

IUPAC(2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline
SMILESCN1/C(=C/C=C2\C=Nc3ccccc32)C=Cc2ccccc21
InChIInChI=1S/C20H16N2/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/b16-11+,17-13+
InChIKeyFFNDRAJLGVDTRV-IUBLYSDUSA-N
MW284.36 g/mol
LogP4.83
Rot. Bonds1

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

(2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline (PubChem CID 53319349) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline.

Molecular Properties

Compound Name(2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline
PubChem CID53319349
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name(2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline
SMILESCN1/C(=C/C=C2\C=Nc3ccccc32)C=Cc2ccccc21
InChIInChI=1S/C20H16N2/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/b16-11+,17-13+
InChIKeyFFNDRAJLGVDTRV-IUBLYSDUSA-N
XLogP4.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline?
The IUPAC name of (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline (CID 53319349) is (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline.
What is the SMILES notation for (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline?
The canonical SMILES for (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline is CN1/C(=C/C=C2\C=Nc3ccccc32)C=Cc2ccccc21.
What is the InChIKey of (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline?
The InChIKey is FFNDRAJLGVDTRV-IUBLYSDUSA-N. The full InChI is InChI=1S/C20H16N2/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/b16-11+,17-13+.
What are the key properties of (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline?
(2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline has a molecular weight of 284.36 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2Z)-2-indol-3-ylideneethylidene]-1-methylquinoline is sourced from PubChem (CID 53319349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).