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

C22H23FN2O2 — CID 19435156

IUPAC8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
SMILESCN1CCC2(c3cccc(O)c3)Cc3[nH]c4cc(F)ccc4c3CC2(O)C1
InChIInChI=1S/C22H23FN2O2/c1-25-8-7-21(14-3-2-4-16(26)9-14)12-20-18(11-22(21,27)13-25)17-6-5-15(23)10-19(17)24-20/h2-6,9-10,24,26-27H,7-8,11-13H2,1H3
InChIKeyOYAPZYAOBNFRCB-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.12
Rot. Bonds1

About 8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol

8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol (PubChem CID 19435156) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol.

Molecular Properties

Compound Name8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
PubChem CID19435156
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
SMILESCN1CCC2(c3cccc(O)c3)Cc3[nH]c4cc(F)ccc4c3CC2(O)C1
InChIInChI=1S/C22H23FN2O2/c1-25-8-7-21(14-3-2-4-16(26)9-14)12-20-18(11-22(21,27)13-25)17-6-5-15(23)10-19(17)24-20/h2-6,9-10,24,26-27H,7-8,11-13H2,1H3
InChIKeyOYAPZYAOBNFRCB-UHFFFAOYSA-N
XLogP3.12
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol?
The IUPAC name of 8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol (CID 19435156) is 8-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 8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol?
The canonical SMILES for 8-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]c4cc(F)ccc4c3CC2(O)C1.
What is the InChIKey of 8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol?
The InChIKey is OYAPZYAOBNFRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-25-8-7-21(14-3-2-4-16(26)9-14)12-20-18(11-22(21,27)13-25)17-6-5-15(23)10-19(17)24-20/h2-6,9-10,24,26-27H,7-8,11-13H2,1H3.
What are the key properties of 8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol?
8-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 8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol is sourced from PubChem (CID 19435156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).