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

C20H19Cl2N3O2 — CID 11596554

IUPAC3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(c2ccccc2[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)C1=O
InChIInChI=1S/C20H19Cl2N3O2/c1-11-19(26)25(20(27)23-11)18-6-4-3-5-13(18)15-9-24(2)10-16-14(15)7-12(21)8-17(16)22/h3-8,11,15H,9-10H2,1-2H3,(H,23,27)/t11?,15-/m0/s1
InChIKeyHNGSPOMVCDECAE-MHTVFEQDSA-N
MW404.30 g/mol
LogP4.02
Rot. Bonds2

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

3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 11596554) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID11596554
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(c2ccccc2[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)C1=O
InChIInChI=1S/C20H19Cl2N3O2/c1-11-19(26)25(20(27)23-11)18-6-4-3-5-13(18)15-9-24(2)10-16-14(15)7-12(21)8-17(16)22/h3-8,11,15H,9-10H2,1-2H3,(H,23,27)/t11?,15-/m0/s1
InChIKeyHNGSPOMVCDECAE-MHTVFEQDSA-N
XLogP4.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 11596554) is 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione is CC1NC(=O)N(c2ccccc2[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)C1=O.
What is the InChIKey of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HNGSPOMVCDECAE-MHTVFEQDSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-11-19(26)25(20(27)23-11)18-6-4-3-5-13(18)15-9-24(2)10-16-14(15)7-12(21)8-17(16)22/h3-8,11,15H,9-10H2,1-2H3,(H,23,27)/t11?,15-/m0/s1.
What are the key properties of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione?
3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 404.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 11596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).