19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide

C38H45FN8O7S — CID 123246486

About 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide

19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide (PubChem CID 123246486) has the molecular formula C38H45FN8O7S and a molecular weight of 776.89 g/mol. Its IUPAC name is 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide.

Molecular Properties

• Compound Name: 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide
• PubChem CID: 123246486
• Molecular Formula: C38H45FN8O7S
• Molecular Weight: 776.89 g/mol
• Exact Mass: 776.31
• IUPAC Name: 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide
• SMILES: Cc1cnc(C(=O)NC2CCCCCC=CC3CCC3(C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)C3CC(Oc4nc5cc(F)ccc5nc4C)CN3C2=O)cn1
• InChI: InChI=1S/C38H45FN8O7S/c1-22-19-41-30(20-40-22)32(48)43-28-10-8-6-4-5-7-9-24-13-14-38(24,36(51)46-55(52,53)37(3)15-16-37)45-33(49)31-18-26(21-47(31)35(28)50)54-34-23(2)42-27-12-11-25(39)17-29(27)44-34/h7,9,11-12,17,19-20,24,26,28,31H,4-6,8,10,13-16,18,21H2,1-3H3,(H,43,48)(H,45,49)(H,46,51)
• InChIKey: LCXKTWJIZTWDGC-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 202.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.89
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide?

The IUPAC name of 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide (CID 123246486) is 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide.

What is the SMILES notation for 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide?

The canonical SMILES for 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide is Cc1cnc(C(=O)NC2CCCCCC=CC3CCC3(C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)C3CC(Oc4nc5cc(F)ccc5nc4C)CN3C2=O)cn1.

What is the InChIKey of 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide?

The InChIKey is LCXKTWJIZTWDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45FN8O7S/c1-22-19-41-30(20-40-22)32(48)43-28-10-8-6-4-5-7-9-24-13-14-38(24,36(51)46-55(52,53)37(3)15-16-37)45-33(49)31-18-26(21-47(31)35(28)50)54-34-23(2)42-27-12-11-25(39)17-29(27)44-34/h7,9,11-12,17,19-20,24,26,28,31H,4-6,8,10,13-16,18,21H2,1-3H3,(H,43,48)(H,45,49)(H,46,51).

What are the key properties of 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide?

19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide has a molecular weight of 776.89 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(7-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-15-[(5-methylpyrazine-2-carbonyl)amino]-2,16-dioxo-3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-4-carboxamide is sourced from PubChem (CID 123246486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).