3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C34H37N3O4 — CID 59152043

IUPAC3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCc1cccc2c(OCCCCN3C(=O)NC(C)(c4ccc(OC(C)C)cc4)C3=O)c(Cc3ccccc3)cnc12
InChIInChI=1S/C34H37N3O4/c1-23(2)41-28-17-15-27(16-18-28)34(4)32(38)37(33(39)36-34)19-8-9-20-40-31-26(21-25-12-6-5-7-13-25)22-35-30-24(3)11-10-14-29(30)31/h5-7,10-18,22-23H,8-9,19-21H2,1-4H3,(H,36,39)
InChIKeyBIBDGVGWPVIIGD-UHFFFAOYSA-N
MW551.69 g/mol
LogP6.55
Rot. Bonds11

About 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 59152043) has the molecular formula C34H37N3O4 and a molecular weight of 551.69 g/mol. Its IUPAC name is 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID59152043
Molecular FormulaC34H37N3O4
Molecular Weight551.69 g/mol
Exact Mass551.28
IUPAC Name3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCc1cccc2c(OCCCCN3C(=O)NC(C)(c4ccc(OC(C)C)cc4)C3=O)c(Cc3ccccc3)cnc12
InChIInChI=1S/C34H37N3O4/c1-23(2)41-28-17-15-27(16-18-28)34(4)32(38)37(33(39)36-34)19-8-9-20-40-31-26(21-25-12-6-5-7-13-25)22-35-30-24(3)11-10-14-29(30)31/h5-7,10-18,22-23H,8-9,19-21H2,1-4H3,(H,36,39)
InChIKeyBIBDGVGWPVIIGD-UHFFFAOYSA-N
XLogP6.55
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 59152043) is 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is Cc1cccc2c(OCCCCN3C(=O)NC(C)(c4ccc(OC(C)C)cc4)C3=O)c(Cc3ccccc3)cnc12.
What is the InChIKey of 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is BIBDGVGWPVIIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O4/c1-23(2)41-28-17-15-27(16-18-28)34(4)32(38)37(33(39)36-34)19-8-9-20-40-31-26(21-25-12-6-5-7-13-25)22-35-30-24(3)11-10-14-29(30)31/h5-7,10-18,22-23H,8-9,19-21H2,1-4H3,(H,36,39).
What are the key properties of 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 551.69 g/mol, XLogP of 6.55, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-benzyl-8-methylquinolin-4-yl)oxybutyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59152043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).