1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one

C22H26N2O — CID 118709739

IUPAC1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1
InChIInChI=1S/C22H26N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h2-5,8-11H,1,6-7,12-17H2
InChIKeyFQMMLMNYDZWZJN-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.80
Rot. Bonds6

About 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one

1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one (PubChem CID 118709739) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one
PubChem CID118709739
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1
InChIInChI=1S/C22H26N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h2-5,8-11H,1,6-7,12-17H2
InChIKeyFQMMLMNYDZWZJN-UHFFFAOYSA-N
XLogP3.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3H-indol-2-one
CID 118709740
2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]isoindole-1,3-dione
CID 71606440
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
CID 21092218
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
(3aS,7aR)-2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 10831039
4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl chloride
CID 39255656
1-(5-bromopentyl)-3H-indol-2-one;1,3-dihydroindol-2-one
CID 67760765
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one?
The IUPAC name of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one (CID 118709739) is 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one.
What is the SMILES notation for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one?
The canonical SMILES for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1.
What is the InChIKey of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one?
The InChIKey is FQMMLMNYDZWZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h2-5,8-11H,1,6-7,12-17H2.
What are the key properties of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one?
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one has a molecular weight of 334.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one is sourced from PubChem (CID 118709739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).