4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline

C20H16N2 — CID 6282159

IUPAC4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline
SMILESCn1cc(/C=C/c2ccnc3ccccc23)c2ccccc21
InChIInChI=1S/C20H16N2/c1-22-14-16(18-7-3-5-9-20(18)22)11-10-15-12-13-21-19-8-4-2-6-17(15)19/h2-14H,1H3/b11-10+
InChIKeyVERDJHOBLCLGFR-ZHACJKMWSA-N
MW284.36 g/mol
LogP4.90
Rot. Bonds2

About 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline

4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline (PubChem CID 6282159) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline
PubChem CID6282159
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline
SMILESCn1cc(/C=C/c2ccnc3ccccc23)c2ccccc21
InChIInChI=1S/C20H16N2/c1-22-14-16(18-7-3-5-9-20(18)22)11-10-15-12-13-21-19-8-4-2-6-17(15)19/h2-14H,1H3/b11-10+
InChIKeyVERDJHOBLCLGFR-ZHACJKMWSA-N
XLogP4.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline?
The IUPAC name of 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline (CID 6282159) is 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline.
What is the SMILES notation for 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline?
The canonical SMILES for 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline is Cn1cc(/C=C/c2ccnc3ccccc23)c2ccccc21.
What is the InChIKey of 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline?
The InChIKey is VERDJHOBLCLGFR-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H16N2/c1-22-14-16(18-7-3-5-9-20(18)22)11-10-15-12-13-21-19-8-4-2-6-17(15)19/h2-14H,1H3/b11-10+.
What are the key properties of 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline?
4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline has a molecular weight of 284.36 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline is sourced from PubChem (CID 6282159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).