N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide

C30H34N6O4S2 — CID 146211582

About N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide

N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide (PubChem CID 146211582) has the molecular formula C30H34N6O4S2 and a molecular weight of 606.77 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide
• PubChem CID: 146211582
• Molecular Formula: C30H34N6O4S2
• Molecular Weight: 606.77 g/mol
• Exact Mass: 606.21
• IUPAC Name: N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide
• SMILES: CCc1ncc(S(=O)(=O)Nc2cc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cnc2OCCCN(C)C)s1
• InChI: InChI=1S/C30H34N6O4S2/c1-5-25-32-18-26(41-25)42(38,39)34-23-15-20(16-33-28(23)40-13-7-12-35(2)3)19-8-9-22-21(14-19)27-24(17-31-22)36(4)29(37)30(27)10-6-11-30/h8-9,14-18,34H,5-7,10-13H2,1-4H3
• InChIKey: UNETUVMFOUXHNZ-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 117.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.77
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide?

The IUPAC name of N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide (CID 146211582) is N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide?

The canonical SMILES for N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2cc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cnc2OCCCN(C)C)s1.

What is the InChIKey of N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide?

The InChIKey is UNETUVMFOUXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O4S2/c1-5-25-32-18-26(41-25)42(38,39)34-23-15-20(16-33-28(23)40-13-7-12-35(2)3)19-8-9-22-21(14-19)27-24(17-31-22)36(4)29(37)30(27)10-6-11-30/h8-9,14-18,34H,5-7,10-13H2,1-4H3.

What are the key properties of N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide?

N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 606.77 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-2-ethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 146211582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).