5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene

C15H19FN2O — CID 102894968

IUPAC5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene
SMILESCOc1cc2c(cc1F)NCC1C3CCCC3CN21
InChIInChI=1S/C15H19FN2O/c1-19-15-6-13-12(5-11(15)16)17-7-14-10-4-2-3-9(10)8-18(13)14/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyUQSQDRGLTBOWNQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.86
Rot. Bonds1

About 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene

5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene (PubChem CID 102894968) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene.

Molecular Properties

Compound Name5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene
PubChem CID102894968
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene
SMILESCOc1cc2c(cc1F)NCC1C3CCCC3CN21
InChIInChI=1S/C15H19FN2O/c1-19-15-6-13-12(5-11(15)16)17-7-14-10-4-2-3-9(10)8-18(13)14/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyUQSQDRGLTBOWNQ-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene?
The IUPAC name of 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene (CID 102894968) is 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene.
What is the SMILES notation for 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene?
The canonical SMILES for 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene is COc1cc2c(cc1F)NCC1C3CCCC3CN21.
What is the InChIKey of 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene?
The InChIKey is UQSQDRGLTBOWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-19-15-6-13-12(5-11(15)16)17-7-14-10-4-2-3-9(10)8-18(13)14/h5-6,9-10,14,17H,2-4,7-8H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene?
5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene has a molecular weight of 262.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene is sourced from PubChem (CID 102894968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).