1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile

C21H19N3O — CID 668669

IUPAC1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile
SMILESCc1c(C#N)c2ccccc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H19N3O/c1-15-18(13-22)17-9-3-5-11-20(17)24(15)14-21(25)23-12-6-8-16-7-2-4-10-19(16)23/h2-5,7,9-11H,6,8,12,14H2,1H3
InChIKeyOPDLKBKNORAIOM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.80
Rot. Bonds2

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile (PubChem CID 668669) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile
PubChem CID668669
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile
SMILESCc1c(C#N)c2ccccc2n1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H19N3O/c1-15-18(13-22)17-9-3-5-11-20(17)24(15)14-21(25)23-12-6-8-16-7-2-4-10-19(16)23/h2-5,7,9-11H,6,8,12,14H2,1H3
InChIKeyOPDLKBKNORAIOM-UHFFFAOYSA-N
XLogP3.80
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Mimbane
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(E)-3-(4-aminophenyl)-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)acrylamide
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Cambridge id 7354412
CID 2185058
(8-Methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile (CID 668669) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile is Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile?
The InChIKey is OPDLKBKNORAIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-18(13-22)17-9-3-5-11-20(17)24(15)14-21(25)23-12-6-8-16-7-2-4-10-19(16)23/h2-5,7,9-11H,6,8,12,14H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile?
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile has a molecular weight of 329.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile is sourced from PubChem (CID 668669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).