2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide

C34H37N3O7S — CID 15948789

About 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide

2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide (PubChem CID 15948789) has the molecular formula C34H37N3O7S and a molecular weight of 631.75 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide
• PubChem CID: 15948789
• Molecular Formula: C34H37N3O7S
• Molecular Weight: 631.75 g/mol
• Exact Mass: 631.24
• IUPAC Name: 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide
• SMILES: COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OC(C)C)c4cccnc4c3OC(C)C)C2=O)c(C)c1
• InChI: InChI=1S/C34H37N3O7S/c1-20(2)43-32-25-11-9-15-35-31(25)33(44-21(3)4)26-18-37(34(39)30(26)32)27-14-13-23(16-22(27)5)19-45(40,41)36-29(38)17-24-10-7-8-12-28(24)42-6/h7-16,20-21H,17-19H2,1-6H3,(H,36,38)
• InChIKey: FVIWPPZXWQBQPN-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 124.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.75
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide?

The IUPAC name of 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide (CID 15948789) is 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide.

What is the SMILES notation for 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide?

The canonical SMILES for 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide is COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(c(OC(C)C)c4cccnc4c3OC(C)C)C2=O)c(C)c1.

What is the InChIKey of 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide?

The InChIKey is FVIWPPZXWQBQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O7S/c1-20(2)43-32-25-11-9-15-35-31(25)33(44-21(3)4)26-18-37(34(39)30(26)32)27-14-13-23(16-22(27)5)19-45(40,41)36-29(38)17-24-10-7-8-12-28(24)42-6/h7-16,20-21H,17-19H2,1-6H3,(H,36,38).

What are the key properties of 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide?

2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide has a molecular weight of 631.75 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-di(propan-2-yloxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 15948789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).