8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]

C28H35N7O3S — CID 165373748

About 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]

8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] (PubChem CID 165373748) has the molecular formula C28H35N7O3S and a molecular weight of 549.70 g/mol. Its IUPAC name is 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline].

Molecular Properties

• Compound Name: 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]
• PubChem CID: 165373748
• Molecular Formula: C28H35N7O3S
• Molecular Weight: 549.70 g/mol
• Exact Mass: 549.25
• IUPAC Name: 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]
• SMILES: CCN(C)S(=O)(=O)Nc1cc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cnc1N1CC(N(C)C)C1
• InChI: InChI=1S/C28H35N7O3S/c1-6-33(4)39(37,38)31-23-13-19(14-30-26(23)35-16-20(17-35)32(2)3)18-8-9-22-21(12-18)25-24(15-29-22)34(5)27(36)28(25)10-7-11-28/h8-9,12-15,20,31H,6-7,10-11,16-17H2,1-5H3
• InChIKey: ZERYPHUPSPNIBH-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 101.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.70
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]?

The IUPAC name of 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] (CID 165373748) is 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline].

What is the SMILES notation for 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]?

The canonical SMILES for 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] is CCN(C)S(=O)(=O)Nc1cc(-c2ccc3ncc4c(c3c2)C2(CCC2)C(=O)N4C)cnc1N1CC(N(C)C)C1.

What is the InChIKey of 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]?

The InChIKey is ZERYPHUPSPNIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O3S/c1-6-33(4)39(37,38)31-23-13-19(14-30-26(23)35-16-20(17-35)32(2)3)18-8-9-22-21(12-18)25-24(15-29-22)34(5)27(36)28(25)10-7-11-28/h8-9,12-15,20,31H,6-7,10-11,16-17H2,1-5H3.

What are the key properties of 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]?

8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] has a molecular weight of 549.70 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-[6-[3-(dimethylamino)azetidin-1-yl]-5-[[ethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline] is sourced from PubChem (CID 165373748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).