N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C26H23N5O4 — CID 135901397

About N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135901397) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 135901397
• Molecular Formula: C26H23N5O4
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.18
• IUPAC Name: N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O
• InChI: InChI=1S/C26H23N5O4/c1-26(18-12-11-16-7-3-4-8-17(16)13-18)24(34)31(25(35)29-26)15-22(32)30(2)14-21-27-20-10-6-5-9-19(20)23(33)28-21/h3-13H,14-15H2,1-2H3,(H,29,35)(H,27,28,33)/t26-/m0/s1
• InChIKey: DUODWAZPXAGXAV-SANMLTNESA-N
• XLogP: 2.50
• TPSA: 115.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	2.50
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 N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The IUPAC name of N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135901397) is N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

What is the SMILES notation for N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The canonical SMILES for N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O.

What is the InChIKey of N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The InChIKey is DUODWAZPXAGXAV-SANMLTNESA-N. The full InChI is InChI=1S/C26H23N5O4/c1-26(18-12-11-16-7-3-4-8-17(16)13-18)24(34)31(25(35)29-26)15-22(32)30(2)14-21-27-20-10-6-5-9-19(20)23(33)28-21/h3-13H,14-15H2,1-2H3,(H,29,35)(H,27,28,33)/t26-/m0/s1.

What are the key properties of N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 469.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135901397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).