3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C25H29N3O5 — CID 42911193

IUPAC3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCCC21NC(=O)N(CN2CCc3cc(OC)c(OC)cc3C2)C1=O
InChIInChI=1S/C25H29N3O5/c1-31-19-6-7-20-17(11-19)5-4-9-25(20)23(29)28(24(30)26-25)15-27-10-8-16-12-21(32-2)22(33-3)13-18(16)14-27/h6-7,11-13H,4-5,8-10,14-15H2,1-3H3,(H,26,30)
InChIKeyZNNQQPQADJVHCE-UHFFFAOYSA-N
MW451.52 g/mol
LogP2.81
Rot. Bonds5

About 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 42911193) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID42911193
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCCC21NC(=O)N(CN2CCc3cc(OC)c(OC)cc3C2)C1=O
InChIInChI=1S/C25H29N3O5/c1-31-19-6-7-20-17(11-19)5-4-9-25(20)23(29)28(24(30)26-25)15-27-10-8-16-12-21(32-2)22(33-3)13-18(16)14-27/h6-7,11-13H,4-5,8-10,14-15H2,1-3H3,(H,26,30)
InChIKeyZNNQQPQADJVHCE-UHFFFAOYSA-N
XLogP2.81
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione with MolForge

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Related Compounds

2-[(4S)-7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2420958
(5S)-5-(4-chlorophenyl)-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 2470371
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869
3-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 86888173
(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 32518558
(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 25469140
3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 46667091
N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706137
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
(4S)-3'-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41041216
(4S)-3'-[(2-bromo-4,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41155641
(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 40777756

Frequently Asked Questions

What is the IUPAC name of 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 42911193) is 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)CCCC21NC(=O)N(CN2CCc3cc(OC)c(OC)cc3C2)C1=O.
What is the InChIKey of 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is ZNNQQPQADJVHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-31-19-6-7-20-17(11-19)5-4-9-25(20)23(29)28(24(30)26-25)15-27-10-8-16-12-21(32-2)22(33-3)13-18(16)14-27/h6-7,11-13H,4-5,8-10,14-15H2,1-3H3,(H,26,30).
What are the key properties of 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 451.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 42911193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).