N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride

C32H36ClN5O5S — CID 167681311

About N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride

N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 167681311) has the molecular formula C32H36ClN5O5S and a molecular weight of 638.19 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]-4-methoxybenzenesulfonamide;hydrochloride.

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]-4-methoxybenzenesulfonamide;hydrochloride
• PubChem CID: 167681311
• Molecular Formula: C32H36ClN5O5S
• Molecular Weight: 638.19 g/mol
• Exact Mass: 637.21
• IUPAC Name: N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride
• SMILES: COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cnc2OCCCN(C)C)cc1.Cl
• InChI: InChI=1S/C32H35N5O5S.ClH/c1-36(2)15-6-16-42-30-27(35-43(39,40)24-10-8-23(41-4)9-11-24)18-22(19-34-30)21-7-12-26-25(17-21)29-28(20-33-26)37(3)31(38)32(29)13-5-14-32;/h7-12,17-20,35H,5-6,13-16H2,1-4H3;1H
• InChIKey: FSCJQNMVVLYBHC-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 113.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.19
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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]-4-methoxybenzenesulfonamide;hydrochloride?

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]-4-methoxybenzenesulfonamide;hydrochloride (CID 167681311) is N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride.

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]-4-methoxybenzenesulfonamide;hydrochloride?

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]-4-methoxybenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4ncc5c(c4c3)C3(CCC3)C(=O)N5C)cnc2OCCCN(C)C)cc1.Cl.

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]-4-methoxybenzenesulfonamide;hydrochloride?

The InChIKey is FSCJQNMVVLYBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O5S.ClH/c1-36(2)15-6-16-42-30-27(35-43(39,40)24-10-8-23(41-4)9-11-24)18-22(19-34-30)21-7-12-26-25(17-21)29-28(20-33-26)37(3)31(38)32(29)13-5-14-32;/h7-12,17-20,35H,5-6,13-16H2,1-4H3;1H.

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]-4-methoxybenzenesulfonamide;hydrochloride?

N-[2-[3-(dimethylamino)propoxy]-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 638.19 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 8 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]-4-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 167681311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).