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

C22H20Cl2N2O2 — CID 11618526

IUPAC1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccccc1[C@@H]1CN(C2CC2)Cc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C22H20Cl2N2O2/c23-13-9-16-17(11-25(14-5-6-14)12-18(16)19(24)10-13)15-3-1-2-4-20(15)26-21(27)7-8-22(26)28/h1-4,9-10,14,17H,5-8,11-12H2/t17-/m0/s1
InChIKeyOVHKNGGOEDPBNS-KRWDZBQOSA-N
MW415.32 g/mol
LogP4.76
Rot. Bonds3

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

1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione (PubChem CID 11618526) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
PubChem CID11618526
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccccc1[C@@H]1CN(C2CC2)Cc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C22H20Cl2N2O2/c23-13-9-16-17(11-25(14-5-6-14)12-18(16)19(24)10-13)15-3-1-2-4-20(15)26-21(27)7-8-22(26)28/h1-4,9-10,14,17H,5-8,11-12H2/t17-/m0/s1
InChIKeyOVHKNGGOEDPBNS-KRWDZBQOSA-N
XLogP4.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 38106183
[(2S)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71660881
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 10135771
1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
CID 66864792
1-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 66864806
1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione;2,2,2-trifluoroacetaldehyde
CID 159839990
1-[(11bR,13R)-2-chloro-7,11b,12,13-tetrahydro-6H-isoquinolino[2,1-a]quinolin-13-yl]pyrrolidin-2-one
CID 134950374
1-(3,5-Dichlorophenyl)-3-(1,2,3,4-tetrahydroquinolyl)azolidine-2,5-dione
CID 3454238
1-(4-chlorophenyl)-4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)pyrrolidin-2-one
CID 6497587
1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one
CID 155811330
1-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one
CID 155814423
N-[3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydro-isoquinolin-4-yl)-phenyl]-acetamide
CID 9902939

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione (CID 11618526) is 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccccc1[C@@H]1CN(C2CC2)Cc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is OVHKNGGOEDPBNS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-13-9-16-17(11-25(14-5-6-14)12-18(16)19(24)10-13)15-3-1-2-4-20(15)26-21(27)7-8-22(26)28/h1-4,9-10,14,17H,5-8,11-12H2/t17-/m0/s1.
What are the key properties of 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione?
1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 415.32 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11618526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).