5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one

C15H17FN2O2 — CID 102894928

IUPAC5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
SMILESCOc1cc2c(cc1F)NC(=O)C1C3CCCC3CN21
InChIInChI=1S/C15H17FN2O2/c1-20-13-6-12-11(5-10(13)16)17-15(19)14-9-4-2-3-8(9)7-18(12)14/h5-6,8-9,14H,2-4,7H2,1H3,(H,17,19)
InChIKeyFHYHYRUCHBXMEX-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.39
Rot. Bonds1

About 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one

5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one (PubChem CID 102894928) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
PubChem CID102894928
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
SMILESCOc1cc2c(cc1F)NC(=O)C1C3CCCC3CN21
InChIInChI=1S/C15H17FN2O2/c1-20-13-6-12-11(5-10(13)16)17-15(19)14-9-4-2-3-8(9)7-18(12)14/h5-6,8-9,14H,2-4,7H2,1H3,(H,17,19)
InChIKeyFHYHYRUCHBXMEX-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-trien-9-one?
The IUPAC name of 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one (CID 102894928) is 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one.
What is the SMILES notation for 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
The canonical SMILES for 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one is COc1cc2c(cc1F)NC(=O)C1C3CCCC3CN21.
What is the InChIKey of 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
The InChIKey is FHYHYRUCHBXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-20-13-6-12-11(5-10(13)16)17-15(19)14-9-4-2-3-8(9)7-18(12)14/h5-6,8-9,14H,2-4,7H2,1H3,(H,17,19).
What are the key properties of 5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one?
5-fluoro-4-methoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one has a molecular weight of 276.31 g/mol, XLogP of 2.39, 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-trien-9-one is sourced from PubChem (CID 102894928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).