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

C20H22N2O — CID 10638372

IUPAC1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
InChIInChI=1S/C20H22N2O/c23-20-14-17-7-3-4-9-19(17)22(20)12-5-11-21-13-10-16-6-1-2-8-18(16)15-21/h1-4,6-9H,5,10-15H2
InChIKeyFMSOQNHSEFQTDJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.02
Rot. Bonds4

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

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one (PubChem CID 10638372) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one
PubChem CID10638372
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
InChIInChI=1S/C20H22N2O/c23-20-14-17-7-3-4-9-19(17)22(20)12-5-11-21-13-10-16-6-1-2-8-18(16)15-21/h1-4,6-9H,5,10-15H2
InChIKeyFMSOQNHSEFQTDJ-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one?
The IUPAC name of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one (CID 10638372) is 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one.
What is the SMILES notation for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one?
The canonical SMILES for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1.
What is the InChIKey of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one?
The InChIKey is FMSOQNHSEFQTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20-14-17-7-3-4-9-19(17)22(20)12-5-11-21-13-10-16-6-1-2-8-18(16)15-21/h1-4,6-9H,5,10-15H2.
What are the key properties of 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one?
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3H-indol-2-one is sourced from PubChem (CID 10638372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).