5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione

C29H34N4O4 — CID 143099065

About 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione

5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 143099065) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 143099065
• Molecular Formula: C29H34N4O4
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.26
• IUPAC Name: 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione
• SMILES: Cc1cc(COC2(C)C=CC(C3(C)CCCN(CC4(C)NC(=O)NC4=O)C3=O)=CC2)c2ccccc2n1
• InChI: InChI=1S/C29H34N4O4/c1-19-16-20(22-8-5-6-9-23(22)30-19)17-37-27(2)13-10-21(11-14-27)28(3)12-7-15-33(25(28)35)18-29(4)24(34)31-26(36)32-29/h5-6,8-11,13,16H,7,12,14-15,17-18H2,1-4H3,(H2,31,32,34,36)
• InChIKey: YGIONFJXRLBBQE-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione (CID 143099065) is 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione is Cc1cc(COC2(C)C=CC(C3(C)CCCN(CC4(C)NC(=O)NC4=O)C3=O)=CC2)c2ccccc2n1.

What is the InChIKey of 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is YGIONFJXRLBBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-19-16-20(22-8-5-6-9-23(22)30-19)17-37-27(2)13-10-21(11-14-27)28(3)12-7-15-33(25(28)35)18-29(4)24(34)31-26(36)32-29/h5-6,8-11,13,16H,7,12,14-15,17-18H2,1-4H3,(H2,31,32,34,36).

What are the key properties of 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione?

5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 502.62 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-5-[[3-methyl-3-[4-methyl-4-[(2-methylquinolin-4-yl)methoxy]cyclohexa-1,5-dien-1-yl]-2-oxopiperidin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143099065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).