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

C22H18FN3O5 — CID 71705027

IUPAC10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCOc1ccc(-c2c3oc4c(O)c(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)c(F)c1
InChIInChI=1S/C22H18FN3O5/c1-9(2)26-21-16(22(29)25-26)15(11-5-4-10(30-3)8-13(11)23)20-17(24-21)12-6-7-14(27)18(28)19(12)31-20/h4-9,24,28H,1-3H3,(H,25,29)
InChIKeyHSWDGILMKGLZDE-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.02
Rot. Bonds3

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

10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 71705027) has the molecular formula C22H18FN3O5 and a molecular weight of 423.40 g/mol. Its IUPAC name is 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 Name10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 CID71705027
Molecular FormulaC22H18FN3O5
Molecular Weight423.40 g/mol
Exact Mass423.12
IUPAC Name10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCOc1ccc(-c2c3oc4c(O)c(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)c(F)c1
InChIInChI=1S/C22H18FN3O5/c1-9(2)26-21-16(22(29)25-26)15(11-5-4-10(30-3)8-13(11)23)20-17(24-21)12-6-7-14(27)18(28)19(12)31-20/h4-9,24,28H,1-3H3,(H,25,29)
InChIKeyHSWDGILMKGLZDE-UHFFFAOYSA-N
XLogP4.02
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 71705027) is 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 COc1ccc(-c2c3oc4c(O)c(=O)ccc4c3[nH]c3c2c(=O)[nH]n3C(C)C)c(F)c1.
What is the InChIKey of 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 HSWDGILMKGLZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O5/c1-9(2)26-21-16(22(29)25-26)15(11-5-4-10(30-3)8-13(11)23)20-17(24-21)12-6-7-14(27)18(28)19(12)31-20/h4-9,24,28H,1-3H3,(H,25,29).
What are the key properties of 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 423.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-fluoro-4-methoxyphenyl)-6-hydroxy-14-propan-2-yl-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 71705027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).