1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone

C19H18N2O — CID 39338416

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCc2ccccc2C1
InChIInChI=1S/C19H18N2O/c22-19(14-20-11-10-16-6-3-4-8-18(16)20)21-12-9-15-5-1-2-7-17(15)13-21/h1-8,10-11H,9,12-14H2
InChIKeyJPUNZTHDPUIMHT-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.23
Rot. Bonds2

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone (PubChem CID 39338416) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
PubChem CID39338416
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCc2ccccc2C1
InChIInChI=1S/C19H18N2O/c22-19(14-20-11-10-16-6-3-4-8-18(16)20)21-12-9-15-5-1-2-7-17(15)13-21/h1-8,10-11H,9,12-14H2
InChIKeyJPUNZTHDPUIMHT-UHFFFAOYSA-N
XLogP3.23
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-indol-1-ylbutane-1,4-dione
CID 84553706
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47059443
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 951768
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111341880
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 43556488
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 53111900

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone (CID 39338416) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone?
The InChIKey is JPUNZTHDPUIMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(14-20-11-10-16-6-3-4-8-18(16)20)21-12-9-15-5-1-2-7-17(15)13-21/h1-8,10-11H,9,12-14H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone has a molecular weight of 290.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone is sourced from PubChem (CID 39338416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).