N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide

C27H30FN5O4S — CID 146212201

About N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide

N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 146212201) has the molecular formula C27H30FN5O4S and a molecular weight of 539.63 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide
• PubChem CID: 146212201
• Molecular Formula: C27H30FN5O4S
• Molecular Weight: 539.63 g/mol
• Exact Mass: 539.20
• IUPAC Name: N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide
• SMILES: CN(C)CCCOc1ncc(-c2cc3c4c(cnc3cc2F)N(C)C(=O)C42CC2)cc1NS(=O)(=O)C1CC1
• InChI: InChI=1S/C27H30FN5O4S/c1-32(2)9-4-10-37-25-22(31-38(35,36)17-5-6-17)11-16(14-30-25)18-12-19-21(13-20(18)28)29-15-23-24(19)27(7-8-27)26(34)33(23)3/h11-15,17,31H,4-10H2,1-3H3
• InChIKey: SNJULVUCQCAJAE-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.63
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
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-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide?

The IUPAC name of N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide (CID 146212201) is N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide?

The canonical SMILES for N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide is CN(C)CCCOc1ncc(-c2cc3c4c(cnc3cc2F)N(C)C(=O)C42CC2)cc1NS(=O)(=O)C1CC1.

What is the InChIKey of N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide?

The InChIKey is SNJULVUCQCAJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4S/c1-32(2)9-4-10-37-25-22(31-38(35,36)17-5-6-17)11-16(14-30-25)18-12-19-21(13-20(18)28)29-15-23-24(19)27(7-8-27)26(34)33(23)3/h11-15,17,31H,4-10H2,1-3H3.

What are the key properties of N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide?

N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 539.63 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(dimethylamino)propoxy]-5-(7'-fluoro-3'-methyl-2'-oxospiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 146212201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).