1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione

C19H16Cl2N2O2 — CID 59682861

IUPAC1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccccc1[C@@H]1CNCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C19H16Cl2N2O2/c20-11-7-13-14(9-22-10-15(13)16(21)8-11)12-3-1-2-4-17(12)23-18(24)5-6-19(23)25/h1-4,7-8,14,22H,5-6,9-10H2/t14-/m0/s1
InChIKeyKHPZBRLLFXEVID-AWEZNQCLSA-N
MW375.26 g/mol
LogP3.88
Rot. Bonds2

About 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione

1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione (PubChem CID 59682861) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
PubChem CID59682861
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Name1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccccc1[C@@H]1CNCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C19H16Cl2N2O2/c20-11-7-13-14(9-22-10-15(13)16(21)8-11)12-3-1-2-4-17(12)23-18(24)5-6-19(23)25/h1-4,7-8,14,22H,5-6,9-10H2/t14-/m0/s1
InChIKeyKHPZBRLLFXEVID-AWEZNQCLSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione (CID 59682861) is 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccccc1[C@@H]1CNCc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is KHPZBRLLFXEVID-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-11-7-13-14(9-22-10-15(13)16(21)8-11)12-3-1-2-4-17(12)23-18(24)5-6-19(23)25/h1-4,7-8,14,22H,5-6,9-10H2/t14-/m0/s1.
What are the key properties of 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 375.26 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 59682861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).