1-(5-isoquinolin-4-ylindol-1-yl)ethanone

C19H14N2O — CID 73442767

IUPAC1-(5-isoquinolin-4-ylindol-1-yl)ethanone
SMILESCC(=O)n1ccc2cc(-c3cncc4ccccc34)ccc21
InChIInChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3
InChIKeyPCCKMWMFPXCDPG-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.52
Rot. Bonds1

About 1-(5-isoquinolin-4-ylindol-1-yl)ethanone

1-(5-isoquinolin-4-ylindol-1-yl)ethanone (PubChem CID 73442767) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(5-isoquinolin-4-ylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-isoquinolin-4-ylindol-1-yl)ethanone
PubChem CID73442767
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name1-(5-isoquinolin-4-ylindol-1-yl)ethanone
SMILESCC(=O)n1ccc2cc(-c3cncc4ccccc34)ccc21
InChIInChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3
InChIKeyPCCKMWMFPXCDPG-UHFFFAOYSA-N
XLogP4.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-isoquinolin-4-ylindol-1-yl)ethanone?
The IUPAC name of 1-(5-isoquinolin-4-ylindol-1-yl)ethanone (CID 73442767) is 1-(5-isoquinolin-4-ylindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-isoquinolin-4-ylindol-1-yl)ethanone?
The canonical SMILES for 1-(5-isoquinolin-4-ylindol-1-yl)ethanone is CC(=O)n1ccc2cc(-c3cncc4ccccc34)ccc21.
What is the InChIKey of 1-(5-isoquinolin-4-ylindol-1-yl)ethanone?
The InChIKey is PCCKMWMFPXCDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-13(22)21-9-8-15-10-14(6-7-19(15)21)18-12-20-11-16-4-2-3-5-17(16)18/h2-12H,1H3.
What are the key properties of 1-(5-isoquinolin-4-ylindol-1-yl)ethanone?
1-(5-isoquinolin-4-ylindol-1-yl)ethanone has a molecular weight of 286.33 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-isoquinolin-4-ylindol-1-yl)ethanone is sourced from PubChem (CID 73442767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).