1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile

C18H16N2O — CID 22689252

IUPAC1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(OC)cc2)c(C#N)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-3-20-17-7-5-4-6-15(17)16(12-19)18(20)13-8-10-14(21-2)11-9-13/h4-11H,3H2,1-2H3
InChIKeyZHZANCUOXSYRSJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.21
Rot. Bonds3

About 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile

1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile (PubChem CID 22689252) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
PubChem CID22689252
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(OC)cc2)c(C#N)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-3-20-17-7-5-4-6-15(17)16(12-19)18(20)13-8-10-14(21-2)11-9-13/h4-11H,3H2,1-2H3
InChIKeyZHZANCUOXSYRSJ-UHFFFAOYSA-N
XLogP4.21
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
CID 22689249
1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 70859124
2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
CID 58694355
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide
CID 58694045
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide
CID 58694115
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile
CID 58694155
1,2-diethylindole-3-carbonitrile
CID 22689233
2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
CID 59425879
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile?
The IUPAC name of 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile (CID 22689252) is 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile is CCn1c(-c2ccc(OC)cc2)c(C#N)c2ccccc21.
What is the InChIKey of 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile?
The InChIKey is ZHZANCUOXSYRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-3-20-17-7-5-4-6-15(17)16(12-19)18(20)13-8-10-14(21-2)11-9-13/h4-11H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile?
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile is sourced from PubChem (CID 22689252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).