2-cycloheptyl-4H-isoquinoline-1,3-dione

C16H19NO2 — CID 82132343

IUPAC2-cycloheptyl-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1C1CCCCCC1
InChIInChI=1S/C16H19NO2/c18-15-11-12-7-5-6-10-14(12)16(19)17(15)13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11H2
InChIKeyJOBRNDPUMLRRAH-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.93
Rot. Bonds1

About 2-cycloheptyl-4H-isoquinoline-1,3-dione

2-cycloheptyl-4H-isoquinoline-1,3-dione (PubChem CID 82132343) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-cycloheptyl-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-cycloheptyl-4H-isoquinoline-1,3-dione
PubChem CID82132343
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-cycloheptyl-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1C1CCCCCC1
InChIInChI=1S/C16H19NO2/c18-15-11-12-7-5-6-10-14(12)16(19)17(15)13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11H2
InChIKeyJOBRNDPUMLRRAH-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclodecylisoindole-1,3-dione
CID 123786237
1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione
CID 71681702
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-cyclohexyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetonitrile
CID 60976091
1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
CID 2752792
2-(dimethylamino)-4H-isoquinoline-1,3-dione
CID 13362905
4-(1,3-dioxo-4H-isoquinolin-2-yl)oxolane-3-carboxylic acid
CID 66240294
2-(piperidin-3-ylmethyl)-4H-isoquinoline-1,3-dione
CID 43123761
2-(2-amino-4-ethoxycyclobutyl)-4H-isoquinoline-1,3-dione
CID 66195341
2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione
CID 132508636
2-prop-2-enyl-4H-isoquinoline-1,3-dione
CID 58158111
(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
CID 41068708

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-cycloheptyl-4H-isoquinoline-1,3-dione (CID 82132343) is 2-cycloheptyl-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-cycloheptyl-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-cycloheptyl-4H-isoquinoline-1,3-dione is O=C1Cc2ccccc2C(=O)N1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-4H-isoquinoline-1,3-dione?
The InChIKey is JOBRNDPUMLRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-11-12-7-5-6-10-14(12)16(19)17(15)13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11H2.
What are the key properties of 2-cycloheptyl-4H-isoquinoline-1,3-dione?
2-cycloheptyl-4H-isoquinoline-1,3-dione has a molecular weight of 257.33 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 82132343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).