5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole

C18H18N2O2 — CID 162643841

IUPAC5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole
SMILESC=C(c1cc(OC)nc(OC)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C18H18N2O2/c1-12(15-10-17(21-3)19-18(11-15)22-4)13-5-6-16-14(9-13)7-8-20(16)2/h5-11H,1H2,2-4H3
InChIKeyVQLASKDKSMOZJS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.65
Rot. Bonds4

About 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole

5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole (PubChem CID 162643841) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole.

Molecular Properties

Compound Name5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole
PubChem CID162643841
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole
SMILESC=C(c1cc(OC)nc(OC)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C18H18N2O2/c1-12(15-10-17(21-3)19-18(11-15)22-4)13-5-6-16-14(9-13)7-8-20(16)2/h5-11H,1H2,2-4H3
InChIKeyVQLASKDKSMOZJS-UHFFFAOYSA-N
XLogP3.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-5-benzyloxyindole
CID 259196
1-(4-methoxyphenyl)-1H-indole
CID 775715
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
CID 52914800
(NE)-N-[[1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
CID 145988046
3-Methoxypyrido[1,2-a]indole-10-carbonitrile
CID 1488983
N-butylharmine
CID 486624
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
5-Methoxy-3-(2-piperidin-1-yl-ethyl)-1H-indole
CID 10467710
[2-(5-Methoxy-1-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 44263956
3-(hexa-1,3-dienyloxy)-9H-pyrido[3,4-b]indole
CID 52945666
(3r,4s)-1-[(2-Methoxyphenyl)methyl]-N,N-Dimethyl-4-(1-Methylindol-3-Yl)pyrrolidin-3-Amine
CID 124037093

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole?
The IUPAC name of 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole (CID 162643841) is 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole.
What is the SMILES notation for 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole?
The canonical SMILES for 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole is C=C(c1cc(OC)nc(OC)c1)c1ccc2c(ccn2C)c1.
What is the InChIKey of 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole?
The InChIKey is VQLASKDKSMOZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(15-10-17(21-3)19-18(11-15)22-4)13-5-6-16-14(9-13)7-8-20(16)2/h5-11H,1H2,2-4H3.
What are the key properties of 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole?
5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole has a molecular weight of 294.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole is sourced from PubChem (CID 162643841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).