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

C19H17Cl2N3O2 — CID 11703805

IUPAC3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](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)/t15-/m0/s1
InChIKeyVQOXKZQYUAEBSC-HNNXBMFYSA-N
MW390.27 g/mol
LogP3.63
Rot. Bonds2

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

3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 11703805) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione
PubChem CID11703805
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](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)/t15-/m0/s1
InChIKeyVQOXKZQYUAEBSC-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione (CID 11703805) is 3-[4-[(4S)-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-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(N3C(=O)CNC3=O)cc2)C1.
What is the InChIKey of 3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is VQOXKZQYUAEBSC-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of 3-[4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione?
3-[4-[(4S)-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-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11703805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).