5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide

C24H23N7O4S — CID 123757985

About 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide

5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide (PubChem CID 123757985) has the molecular formula C24H23N7O4S and a molecular weight of 505.56 g/mol. Its IUPAC name is 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide
• PubChem CID: 123757985
• Molecular Formula: C24H23N7O4S
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.15
• IUPAC Name: 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide
• SMILES: [H]/N=C/C(/C=N/C)NS(=O)(=O)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1OC
• InChI: InChI=1S/C24H23N7O4S/c1-27-14-17(12-25)30-36(33,34)21-11-16(13-28-22(21)35-2)15-8-9-20-19(10-15)23(32)31(24(26)29-20)18-6-4-3-5-7-18/h3-14,17,25,30H,1-2H3,(H2,26,29)/b25-12+,27-14+
• InChIKey: WIWLLUQQAOSUSJ-BSJLCCIXSA-N
• XLogP: 2.04
• TPSA: 165.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide?

The IUPAC name of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide (CID 123757985) is 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide.

What is the SMILES notation for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide?

The canonical SMILES for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide is [H]/N=C/C(/C=N/C)NS(=O)(=O)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1OC.

What is the InChIKey of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide?

The InChIKey is WIWLLUQQAOSUSJ-BSJLCCIXSA-N. The full InChI is InChI=1S/C24H23N7O4S/c1-27-14-17(12-25)30-36(33,34)21-11-16(13-28-22(21)35-2)15-8-9-20-19(10-15)23(32)31(24(26)29-20)18-6-4-3-5-7-18/h3-14,17,25,30H,1-2H3,(H2,26,29)/b25-12+,27-14+.

What are the key properties of 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide?

5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide has a molecular weight of 505.56 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 123757985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).