4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline

C21H18N2 — CID 99904395

IUPAC4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline
SMILESCc1ccc2c(/C=C\c3c[nH]c4ccccc34)ccnc2c1C
InChIInChI=1S/C21H18N2/c1-14-7-10-19-16(11-12-22-21(19)15(14)2)8-9-17-13-23-20-6-4-3-5-18(17)20/h3-13,23H,1-2H3/b9-8-
InChIKeyRQMJJSJJJVSQOZ-HJWRWDBZSA-N
MW298.39 g/mol
LogP5.50
Rot. Bonds2

About 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline

4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline (PubChem CID 99904395) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline.

Molecular Properties

Compound Name4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline
PubChem CID99904395
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline
SMILESCc1ccc2c(/C=C\c3c[nH]c4ccccc34)ccnc2c1C
InChIInChI=1S/C21H18N2/c1-14-7-10-19-16(11-12-22-21(19)15(14)2)8-9-17-13-23-20-6-4-3-5-18(17)20/h3-13,23H,1-2H3/b9-8-
InChIKeyRQMJJSJJJVSQOZ-HJWRWDBZSA-N
XLogP5.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(Z)-2-(1H-indol-3-yl)ethenyl]quinoline
CID 54609523
3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498
2-(1H-indol-3-yl)ethenyl-methylidyneazanium
CID 162800591
3-[(Z)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]-1H-indole iodide
CID 54609818
3-[(E)-2-(1-methylpyridin-1-ium-3-yl)ethenyl]-1H-indole iodide
CID 53349400
5-[2-(1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 136981416
4-(1H-indol-3-yl)-6,8-dimethylquinoline
CID 177392885
3-methyl-1H-indole;N-methylmethanamine
CID 68994741
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline?
The IUPAC name of 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline (CID 99904395) is 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline.
What is the SMILES notation for 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline?
The canonical SMILES for 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline is Cc1ccc2c(/C=C\c3c[nH]c4ccccc34)ccnc2c1C.
What is the InChIKey of 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline?
The InChIKey is RQMJJSJJJVSQOZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C21H18N2/c1-14-7-10-19-16(11-12-22-21(19)15(14)2)8-9-17-13-23-20-6-4-3-5-18(17)20/h3-13,23H,1-2H3/b9-8-.
What are the key properties of 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline?
4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline has a molecular weight of 298.39 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(1H-indol-3-yl)ethenyl]-7,8-dimethylquinoline is sourced from PubChem (CID 99904395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).