5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

C24H27N3O5 — CID 75356598

IUPAC5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCOc1cc2c(cc1OC)CN(C(=O)CC1NC(=O)N(CCc3ccccc3)C1=O)CC2
InChIInChI=1S/C24H27N3O5/c1-31-20-12-17-9-10-26(15-18(17)13-21(20)32-2)22(28)14-19-23(29)27(24(30)25-19)11-8-16-6-4-3-5-7-16/h3-7,12-13,19H,8-11,14-15H2,1-2H3,(H,25,30)
InChIKeyAQDYSCSJQNXSOU-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.14
Rot. Bonds7

About 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 75356598) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID75356598
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCOc1cc2c(cc1OC)CN(C(=O)CC1NC(=O)N(CCc3ccccc3)C1=O)CC2
InChIInChI=1S/C24H27N3O5/c1-31-20-12-17-9-10-26(15-18(17)13-21(20)32-2)22(28)14-19-23(29)27(24(30)25-19)11-8-16-6-4-3-5-7-16/h3-7,12-13,19H,8-11,14-15H2,1-2H3,(H,25,30)
InChIKeyAQDYSCSJQNXSOU-UHFFFAOYSA-N
XLogP2.14
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 91638554
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 75492465
(5S)-5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-phenylimidazolidine-2,4-dione
CID 110206010
(5R)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 124863296
(5S)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 91636915
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 45104052
(5R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 8012893
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 91823187
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
N-benzyl-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 91636561
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxyphenyl)propan-1-one
CID 38446915

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (CID 75356598) is 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is COc1cc2c(cc1OC)CN(C(=O)CC1NC(=O)N(CCc3ccccc3)C1=O)CC2.
What is the InChIKey of 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is AQDYSCSJQNXSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-31-20-12-17-9-10-26(15-18(17)13-21(20)32-2)22(28)14-19-23(29)27(24(30)25-19)11-8-16-6-4-3-5-7-16/h3-7,12-13,19H,8-11,14-15H2,1-2H3,(H,25,30).
What are the key properties of 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 75356598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).