N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide

C49H49F3N10O3 — CID 159997775

About N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide

N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide (PubChem CID 159997775) has the molecular formula C49H49F3N10O3 and a molecular weight of 882.99 g/mol. Its IUPAC name is N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
• PubChem CID: 159997775
• Molecular Formula: C49H49F3N10O3
• Molecular Weight: 882.99 g/mol
• Exact Mass: 882.39
• IUPAC Name: N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
• SMILES: CC(C)CCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.COCCCNc1nc2ccc(F)cc2n2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
• InChI: InChI=1S/C25H25F2N5O.C24H24FN5O2/c1-14(2)9-10-28-23-24-29-13-22(32(24)21-12-19(27)18(26)11-20(21)31-23)15-3-5-16(6-4-15)25(33)30-17-7-8-17;1-32-12-2-11-26-22-23-27-14-21(30(23)20-13-17(25)7-10-19(20)29-22)15-3-5-16(6-4-15)24(31)28-18-8-9-18/h3-6,11-14,17H,7-10H2,1-2H3,(H,28,31)(H,30,33);3-7,10,13-14,18H,2,8-9,11-12H2,1H3,(H,26,29)(H,28,31)
• InChIKey: OHTMHLIQWFNUGG-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 151.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	882.99
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide?

The IUPAC name of N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide (CID 159997775) is N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide?

The canonical SMILES for N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide is CC(C)CCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.COCCCNc1nc2ccc(F)cc2n2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.

What is the InChIKey of N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide?

The InChIKey is OHTMHLIQWFNUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O.C24H24FN5O2/c1-14(2)9-10-28-23-24-29-13-22(32(24)21-12-19(27)18(26)11-20(21)31-23)15-3-5-16(6-4-15)25(33)30-17-7-8-17;1-32-12-2-11-26-22-23-27-14-21(30(23)20-13-17(25)7-10-19(20)29-22)15-3-5-16(6-4-15)24(31)28-18-8-9-18/h3-6,11-14,17H,7-10H2,1-2H3,(H,28,31)(H,30,33);3-7,10,13-14,18H,2,8-9,11-12H2,1H3,(H,26,29)(H,28,31).

What are the key properties of N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide?

N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide has a molecular weight of 882.99 g/mol, XLogP of 9.21, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[7,8-difluoro-4-(3-methylbutylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide;N-cyclopropyl-4-[8-fluoro-4-(3-methoxypropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide is sourced from PubChem (CID 159997775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).