8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one

C18H10FNO4 — CID 5260607

IUPAC8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one
SMILESO=C1OCc2nc3cc4c(cc3c(-c3ccc(F)cc3)c21)OCO4
InChIInChI=1S/C18H10FNO4/c19-10-3-1-9(2-4-10)16-11-5-14-15(24-8-23-14)6-12(11)20-13-7-22-18(21)17(13)16/h1-6H,7-8H2
InChIKeyZSULOVSWJZPYCP-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.44
Rot. Bonds1

About 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one

8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one (PubChem CID 5260607) has the molecular formula C18H10FNO4 and a molecular weight of 323.28 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one
PubChem CID5260607
Molecular FormulaC18H10FNO4
Molecular Weight323.28 g/mol
Exact Mass323.06
IUPAC Name8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one
SMILESO=C1OCc2nc3cc4c(cc3c(-c3ccc(F)cc3)c21)OCO4
InChIInChI=1S/C18H10FNO4/c19-10-3-1-9(2-4-10)16-11-5-14-15(24-8-23-14)6-12(11)20-13-7-22-18(21)17(13)16/h1-6H,7-8H2
InChIKeyZSULOVSWJZPYCP-UHFFFAOYSA-N
XLogP3.44
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one?
The IUPAC name of 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one (CID 5260607) is 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one.
What is the SMILES notation for 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one?
The canonical SMILES for 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one is O=C1OCc2nc3cc4c(cc3c(-c3ccc(F)cc3)c21)OCO4.
What is the InChIKey of 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one?
The InChIKey is ZSULOVSWJZPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FNO4/c19-10-3-1-9(2-4-10)16-11-5-14-15(24-8-23-14)6-12(11)20-13-7-22-18(21)17(13)16/h1-6H,7-8H2.
What are the key properties of 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one?
8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one has a molecular weight of 323.28 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,7,9,11(15)-pentaen-6-one is sourced from PubChem (CID 5260607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).