2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione

C23H24N2O2 — CID 10498749

IUPAC2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H24N2O2/c26-22-20-7-3-4-8-21(20)23(27)25(22)19-11-9-18(10-12-19)24-14-13-16-5-1-2-6-17(16)15-24/h1-8,18-19H,9-15H2
InChIKeyYKDSRIXEEBYQEB-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.65
Rot. Bonds2

About 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione

2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione (PubChem CID 10498749) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione
PubChem CID10498749
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCC(N2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H24N2O2/c26-22-20-7-3-4-8-21(20)23(27)25(22)19-11-9-18(10-12-19)24-14-13-16-5-1-2-6-17(16)15-24/h1-8,18-19H,9-15H2
InChIKeyYKDSRIXEEBYQEB-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
(1s,2r)-2-{[(1s)-1-[(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)methyl]-3,4-Dihydroisoquinolin-2(1h)-Yl]carbonyl}cyclohexanecarboxylic Acid
CID 56840728
Itareparib
CID 73774960
N-(2-Methylallyl)-phthalimide
CID 231838
N,N'-Trimethylenediphthalimide
CID 248109
alpha-Phthalimidopropiophenone
CID 519663
N-Cyclohexylphthalimide
CID 225739
2-Benzylisoindolin-1-one
CID 1485883
N-Propylphthalimide
CID 79215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione (CID 10498749) is 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCC(N2CCc3ccccc3C2)CC1.
What is the InChIKey of 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione?
The InChIKey is YKDSRIXEEBYQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22-20-7-3-4-8-21(20)23(27)25(22)19-11-9-18(10-12-19)24-14-13-16-5-1-2-6-17(16)15-24/h1-8,18-19H,9-15H2.
What are the key properties of 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione?
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione has a molecular weight of 360.46 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]isoindole-1,3-dione is sourced from PubChem (CID 10498749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).