1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one

C19H20N2O — CID 42625269

IUPAC1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCN1CCc2ccccc2C1
InChIInChI=1S/C19H20N2O/c22-19-13-16-6-3-4-8-18(16)21(19)12-11-20-10-9-15-5-1-2-7-17(15)14-20/h1-8H,9-14H2
InChIKeyUZPCTHGHFJIDPM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.63
Rot. Bonds3

About 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one (PubChem CID 42625269) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one
PubChem CID42625269
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCN1CCc2ccccc2C1
InChIInChI=1S/C19H20N2O/c22-19-13-16-6-3-4-8-18(16)21(19)12-11-20-10-9-15-5-1-2-7-17(15)14-20/h1-8H,9-14H2
InChIKeyUZPCTHGHFJIDPM-UHFFFAOYSA-N
XLogP2.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one (CID 42625269) is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one?
The InChIKey is UZPCTHGHFJIDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19-13-16-6-3-4-8-18(16)21(19)12-11-20-10-9-15-5-1-2-7-17(15)14-20/h1-8H,9-14H2.
What are the key properties of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one?
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one has a molecular weight of 292.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-indol-2-one is sourced from PubChem (CID 42625269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).