3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one

C26H35FN2O4 — CID 159671184

IUPAC3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one
SMILESCC1CN(CC2CCc3c(c4cc(F)ccc4n3CCCCCC(=O)CO)C2=O)CC(C)O1
InChIInChI=1S/C26H35FN2O4/c1-17-13-28(14-18(2)33-17)15-19-7-9-24-25(26(19)32)22-12-20(27)8-10-23(22)29(24)11-5-3-4-6-21(31)16-30/h8,10,12,17-19,30H,3-7,9,11,13-16H2,1-2H3
InChIKeyMUABVSRQOSEMBX-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.76
Rot. Bonds9

About 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one

3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one (PubChem CID 159671184) has the molecular formula C26H35FN2O4 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one
PubChem CID159671184
Molecular FormulaC26H35FN2O4
Molecular Weight458.57 g/mol
Exact Mass458.26
IUPAC Name3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one
SMILESCC1CN(CC2CCc3c(c4cc(F)ccc4n3CCCCCC(=O)CO)C2=O)CC(C)O1
InChIInChI=1S/C26H35FN2O4/c1-17-13-28(14-18(2)33-17)15-19-7-9-24-25(26(19)32)22-12-20(27)8-10-23(22)29(24)11-5-3-4-6-21(31)16-30/h8,10,12,17-19,30H,3-7,9,11,13-16H2,1-2H3
InChIKeyMUABVSRQOSEMBX-UHFFFAOYSA-N
XLogP3.76
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one (CID 159671184) is 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one is CC1CN(CC2CCc3c(c4cc(F)ccc4n3CCCCCC(=O)CO)C2=O)CC(C)O1.
What is the InChIKey of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is MUABVSRQOSEMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O4/c1-17-13-28(14-18(2)33-17)15-19-7-9-24-25(26(19)32)22-12-20(27)8-10-23(22)29(24)11-5-3-4-6-21(31)16-30/h8,10,12,17-19,30H,3-7,9,11,13-16H2,1-2H3.
What are the key properties of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one?
3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 458.57 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 159671184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).