ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C23H26N5O3+ — CID 135751665

About ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135751665) has the molecular formula C23H26N5O3+ and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• PubChem CID: 135751665
• Molecular Formula: C23H26N5O3+
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.20
• IUPAC Name: ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• SMILES: CC[NH+](Cc1nc2ccccc2c(=O)[nH]1)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O
• InChI: InChI=1S/C23H25N5O3/c1-4-26(13-20-24-19-8-6-5-7-18(19)21(29)25-20)14-27-22(30)16(3)28(23(27)31)17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H,24,25,29)/p+1/t16-/m0/s1
• InChIKey: VRTUBOGOTKAIHK-INIZCTEOSA-O
• XLogP: 1.45
• TPSA: 90.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The IUPAC name of ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135751665) is ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

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

The canonical SMILES for ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CC[NH+](Cc1nc2ccccc2c(=O)[nH]1)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O.

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

The InChIKey is VRTUBOGOTKAIHK-INIZCTEOSA-O. The full InChI is InChI=1S/C23H25N5O3/c1-4-26(13-20-24-19-8-6-5-7-18(19)21(29)25-20)14-27-22(30)16(3)28(23(27)31)17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H,24,25,29)/p+1/t16-/m0/s1.

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

ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 420.49 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135751665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).