4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide

C28H33FN4O4 — CID 71526559

About 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide

4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide (PubChem CID 71526559) has the molecular formula C28H33FN4O4 and a molecular weight of 508.59 g/mol. Its IUPAC name is 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide
• PubChem CID: 71526559
• Molecular Formula: C28H33FN4O4
• Molecular Weight: 508.59 g/mol
• Exact Mass: 508.25
• IUPAC Name: 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide
• SMILES: COCCN1CCN(CC2CCc3c(c4cc(F)ccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1
• InChI: InChI=1S/C28H33FN4O4/c1-37-15-14-31-10-12-32(13-11-31)18-21-6-8-25-26(27(21)34)23-16-22(29)7-9-24(23)33(25)17-19-2-4-20(5-3-19)28(35)30-36/h2-5,7,9,16,21,36H,6,8,10-15,17-18H2,1H3,(H,30,35)
• InChIKey: MJCVHMKYMMAKON-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 87.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.59
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide?

The IUPAC name of 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide (CID 71526559) is 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide.

What is the SMILES notation for 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide?

The canonical SMILES for 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide is COCCN1CCN(CC2CCc3c(c4cc(F)ccc4n3Cc3ccc(C(=O)NO)cc3)C2=O)CC1.

What is the InChIKey of 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide?

The InChIKey is MJCVHMKYMMAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O4/c1-37-15-14-31-10-12-32(13-11-31)18-21-6-8-25-26(27(21)34)23-16-22(29)7-9-24(23)33(25)17-19-2-4-20(5-3-19)28(35)30-36/h2-5,7,9,16,21,36H,6,8,10-15,17-18H2,1H3,(H,30,35).

What are the key properties of 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide?

4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide has a molecular weight of 508.59 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 71526559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).