4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione

C20H18Cl2N2O3 — CID 11531543

IUPAC4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2C(=O)COCC2=O)C1
InChIInChI=1S/C20H18Cl2N2O3/c1-23-8-15(14-6-12(21)7-17(22)16(14)9-23)13-4-2-3-5-18(13)24-19(25)10-27-11-20(24)26/h2-7,15H,8-11H2,1H3/t15-/m0/s1
InChIKeyCUBRHUFSXLSRAB-HNNXBMFYSA-N
MW405.28 g/mol
LogP3.46
Rot. Bonds2

About 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione

4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione (PubChem CID 11531543) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione
PubChem CID11531543
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2C(=O)COCC2=O)C1
InChIInChI=1S/C20H18Cl2N2O3/c1-23-8-15(14-6-12(21)7-17(22)16(14)9-23)13-4-2-3-5-18(13)24-19(25)10-27-11-20(24)26/h2-7,15H,8-11H2,1H3/t15-/m0/s1
InChIKeyCUBRHUFSXLSRAB-HNNXBMFYSA-N
XLogP3.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione 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

4-[2-((r)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl]-morpholine-3,5-dione trifluoroacetic acid salt
CID 66865001
{[2-((r)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylcarbamoyl]-methoxy}acetic acid trifluoroacetic acid salt
CID 66865118
[2-[2-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]-2-oxoethoxy]acetyl] 2,2,2-trifluoroacetate
CID 87183528
[4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-3,5-dioxomorpholin-2-yl] 2,2,2-trifluoroacetate
CID 140114483
[1-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-oxopyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 140524264
4-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]morpholine;2,2,2-trifluoroacetaldehyde
CID 157682508
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-methylpropanamide
CID 10110109
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide
CID 10111009
1-acetyl-N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]piperidine-4-carboxamide
CID 10115472
1-acetyl-N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]piperidine-4-carboxamide
CID 10139445
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide
CID 10157250
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide
CID 10177592

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione (CID 11531543) is 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2C(=O)COCC2=O)C1.
What is the InChIKey of 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione?
The InChIKey is CUBRHUFSXLSRAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-23-8-15(14-6-12(21)7-17(22)16(14)9-23)13-4-2-3-5-18(13)24-19(25)10-27-11-20(24)26/h2-7,15H,8-11H2,1H3/t15-/m0/s1.
What are the key properties of 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione?
4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione has a molecular weight of 405.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione is sourced from PubChem (CID 11531543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).