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

C19H17Cl2N3O2 — CID 11509358

IUPAC3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(N3C(=O)CNC3=O)cc2)C1
InChIInChI=1S/C19H17Cl2N3O2/c1-23-9-15(14-6-12(20)7-17(21)16(14)10-23)11-2-4-13(5-3-11)24-18(25)8-22-19(24)26/h2-7,15H,8-10H2,1H3,(H,22,26)
InChIKeyVQOXKZQYUAEBSC-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.63
Rot. Bonds2

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

3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 11509358) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione
PubChem CID11509358
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(N3C(=O)CNC3=O)cc2)C1
InChIInChI=1S/C19H17Cl2N3O2/c1-23-9-15(14-6-12(20)7-17(21)16(14)10-23)11-2-4-13(5-3-11)24-18(25)8-22-19(24)26/h2-7,15H,8-10H2,1H3,(H,22,26)
InChIKeyVQOXKZQYUAEBSC-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4878645
N-[(2-chlorophenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4881817
(2S)-2-amino-2-N-[(3,4-dichlorophenyl)methyl]-1-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 58965350
N-(2-chloro-4-methylphenyl)-6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]hexanamide
CID 17579270
N-(3-Chloro-4-methylphenyl)-4-fluoro-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxamide
CID 110876091
N-(2-Chloro-4-methylphenyl)-4-fluoro-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxamide
CID 110876095
[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamoylamino]methylphosphonic acid
CID 67457888
N-(2-chlorobenzyl)-2-(3-(4-isopropylphenyl)-2-oxoimidazolidin-1-yl)acetamide
CID 49669576
N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-2-(p-tolylcarbamoylamino)acetamide
CID 508802
1-[2-(5,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)acetyl]imidazolidin-2-one
CID 136547340
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 10294567
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 87868962

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione (CID 11509358) is 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(N3C(=O)CNC3=O)cc2)C1.
What is the InChIKey of 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is VQOXKZQYUAEBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-23-9-15(14-6-12(20)7-17(21)16(14)10-23)11-2-4-13(5-3-11)24-18(25)8-22-19(24)26/h2-7,15H,8-10H2,1H3,(H,22,26).
What are the key properties of 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione?
3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 390.27 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11509358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).