N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide

C24H26N4O5S — CID 146212423

About N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide

N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 146212423) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide
• PubChem CID: 146212423
• Molecular Formula: C24H26N4O5S
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.16
• IUPAC Name: N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide
• SMILES: CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(OCCCO)c(NS(C)(=O)=O)c3)cc21
• InChI: InChI=1S/C24H26N4O5S/c1-28-20-14-25-18-6-5-15(11-17(18)21(20)24(23(28)30)7-3-8-24)16-12-19(27-34(2,31)32)22(26-13-16)33-10-4-9-29/h5-6,11-14,27,29H,3-4,7-10H2,1-2H3
• InChIKey: VCSYROXGKIRQOO-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 121.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide (CID 146212423) is N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide.

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

The canonical SMILES for N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide is CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(OCCCO)c(NS(C)(=O)=O)c3)cc21.

What is the InChIKey of N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide?

The InChIKey is VCSYROXGKIRQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-28-20-14-25-18-6-5-15(11-17(18)21(20)24(23(28)30)7-3-8-24)16-12-19(27-34(2,31)32)22(26-13-16)33-10-4-9-29/h5-6,11-14,27,29H,3-4,7-10H2,1-2H3.

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

N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 482.56 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-hydroxypropoxy)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 146212423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).