N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide

C29H26FN3O5 — CID 138660577

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide (PubChem CID 138660577) has the molecular formula C29H26FN3O5 and a molecular weight of 515.54 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide
• PubChem CID: 138660577
• Molecular Formula: C29H26FN3O5
• Molecular Weight: 515.54 g/mol
• Exact Mass: 515.19
• IUPAC Name: N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide
• SMILES: COc1c(C(=O)NC23C(=O)C4=C(N)CCC=C4C2(O)Oc2cc(C(C)C)ccc23)cnc2ccc(F)cc12
• InChI: InChI=1S/C29H26FN3O5/c1-14(2)15-7-9-19-23(11-15)38-29(36)20-5-4-6-21(31)24(20)26(34)28(19,29)33-27(35)18-13-32-22-10-8-16(30)12-17(22)25(18)37-3/h5,7-14,36H,4,6,31H2,1-3H3,(H,33,35)
• InChIKey: BLMZAZLURXWDPK-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 123.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.54
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide?

The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide (CID 138660577) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide.

What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide?

The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide is COc1c(C(=O)NC23C(=O)C4=C(N)CCC=C4C2(O)Oc2cc(C(C)C)ccc23)cnc2ccc(F)cc12.

What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide?

The InChIKey is BLMZAZLURXWDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN3O5/c1-14(2)15-7-9-19-23(11-15)38-29(36)20-5-4-6-21(31)24(20)26(34)28(19,29)33-27(35)18-13-32-22-10-8-16(30)12-17(22)25(18)37-3/h5,7-14,36H,4,6,31H2,1-3H3,(H,33,35).

What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide?

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-fluoro-4-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 138660577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).