7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol

C22H23FN2O2 — CID 19435058

About 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol

7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol (PubChem CID 19435058) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol.

Molecular Properties

• Compound Name: 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
• PubChem CID: 19435058
• Molecular Formula: C22H23FN2O2
• Molecular Weight: 366.44 g/mol
• Exact Mass: 366.17
• IUPAC Name: 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
• SMILES: CN1CCC2(c3cccc(O)c3)Cc3[nH]c4c(F)cccc4c3CC2(O)C1
• InChI: InChI=1S/C22H23FN2O2/c1-25-9-8-21(14-4-2-5-15(26)10-14)12-19-17(11-22(21,27)13-25)16-6-3-7-18(23)20(16)24-19/h2-7,10,24,26-27H,8-9,11-13H2,1H3
• InChIKey: QJHBPKLTVJSLIZ-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 59.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.44
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol?

The IUPAC name of 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol (CID 19435058) is 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol.

What is the SMILES notation for 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol?

The canonical SMILES for 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol is CN1CCC2(c3cccc(O)c3)Cc3[nH]c4c(F)cccc4c3CC2(O)C1.

What is the InChIKey of 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol?

The InChIKey is QJHBPKLTVJSLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-25-9-8-21(14-4-2-5-15(26)10-14)12-19-17(11-22(21,27)13-25)16-6-3-7-18(23)20(16)24-19/h2-7,10,24,26-27H,8-9,11-13H2,1H3.

What are the key properties of 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol?

7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol has a molecular weight of 366.44 g/mol, XLogP of 3.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol is sourced from PubChem (CID 19435058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).