6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C22H16F3N3O5 — CID 71702027

IUPAC6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)n1[nH]c(=O)c2c(-c3ccc(OC(F)(F)F)cc3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C22H16F3N3O5/c1-9(2)28-20-15(21(31)27-28)14(10-3-5-11(6-4-10)33-22(23,24)25)19-16(26-20)12-7-8-13(29)17(30)18(12)32-19/h3-9,26,30H,1-2H3,(H,27,31)
InChIKeyFTDUIGFGXMGRHI-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.77
Rot. Bonds3

About 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71702027) has the molecular formula C22H16F3N3O5 and a molecular weight of 459.38 g/mol. Its IUPAC name is 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71702027
Molecular FormulaC22H16F3N3O5
Molecular Weight459.38 g/mol
Exact Mass459.10
IUPAC Name6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)n1[nH]c(=O)c2c(-c3ccc(OC(F)(F)F)cc3)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C22H16F3N3O5/c1-9(2)28-20-15(21(31)27-28)14(10-3-5-11(6-4-10)33-22(23,24)25)19-16(26-20)12-7-8-13(29)17(30)18(12)32-19/h3-9,26,30H,1-2H3,(H,27,31)
InChIKeyFTDUIGFGXMGRHI-UHFFFAOYSA-N
XLogP4.77
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71702027) is 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is CC(C)n1[nH]c(=O)c2c(-c3ccc(OC(F)(F)F)cc3)c3oc4c(O)c(=O)ccc4c3[nH]c21.
What is the InChIKey of 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is FTDUIGFGXMGRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O5/c1-9(2)28-20-15(21(31)27-28)14(10-3-5-11(6-4-10)33-22(23,24)25)19-16(26-20)12-7-8-13(29)17(30)18(12)32-19/h3-9,26,30H,1-2H3,(H,27,31).
What are the key properties of 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 459.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-14-propan-2-yl-10-[4-(trifluoromethoxy)phenyl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71702027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).