sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide

C32H32N3NaO7S — CID 24763640

About sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide

sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide (PubChem CID 24763640) has the molecular formula C32H32N3NaO7S and a molecular weight of 625.68 g/mol. Its IUPAC name is sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide.

Molecular Properties

• Compound Name: sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide
• PubChem CID: 24763640
• Molecular Formula: C32H32N3NaO7S
• Molecular Weight: 625.68 g/mol
• Exact Mass: 625.19
• IUPAC Name: sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide
• SMILES: CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)[N-]C(=O)Cc3ccccc3OC)cc1C)C2=O.[Na+]
• InChI: InChI=1S/C32H33N3O7S.Na/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4;/h7-16H,5-6,17-19H2,1-4H3,(H,34,36);/q;+1/p-1
• InChIKey: ANAYNRHWNAOJBZ-UHFFFAOYSA-M
• XLogP: 2.49
• TPSA: 126.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.68
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide?

The IUPAC name of sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide (CID 24763640) is sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide.

What is the SMILES notation for sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide?

The canonical SMILES for sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide is CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)[N-]C(=O)Cc3ccccc3OC)cc1C)C2=O.[Na+].

What is the InChIKey of sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide?

The InChIKey is ANAYNRHWNAOJBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H33N3O7S.Na/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4;/h7-16H,5-6,17-19H2,1-4H3,(H,34,36);/q;+1/p-1.

What are the key properties of sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide?

sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide has a molecular weight of 625.68 g/mol, XLogP of 2.49, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for sodium [4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl-[2-(2-methoxyphenyl)acetyl]azanide is sourced from PubChem (CID 24763640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).