4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile

C21H15N3 — CID 155541275

IUPAC4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(C#N)nc2ccccc12
InChIInChI=1S/C21H15N3/c1-14(15-7-8-21-16(11-15)9-10-24(21)2)19-12-17(13-22)23-20-6-4-3-5-18(19)20/h3-12H,1H2,2H3
InChIKeyIGADDWJYYPETJI-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.66
Rot. Bonds2

About 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile

4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile (PubChem CID 155541275) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile
PubChem CID155541275
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(C#N)nc2ccccc12
InChIInChI=1S/C21H15N3/c1-14(15-7-8-21-16(11-15)9-10-24(21)2)19-12-17(13-22)23-20-6-4-3-5-18(19)20/h3-12H,1H2,2H3
InChIKeyIGADDWJYYPETJI-UHFFFAOYSA-N
XLogP4.66
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile?
The IUPAC name of 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile (CID 155541275) is 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile?
The canonical SMILES for 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile is C=C(c1ccc2c(ccn2C)c1)c1cc(C#N)nc2ccccc12.
What is the InChIKey of 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile?
The InChIKey is IGADDWJYYPETJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c1-14(15-7-8-21-16(11-15)9-10-24(21)2)19-12-17(13-22)23-20-6-4-3-5-18(19)20/h3-12H,1H2,2H3.
What are the key properties of 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile?
4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylindol-5-yl)ethenyl]quinoline-2-carbonitrile is sourced from PubChem (CID 155541275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).