6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

C20H13NO3 — CID 692657

IUPAC6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(O)c1)CC3
InChIInChI=1S/C20H13NO3/c22-14-3-1-2-13(10-14)21-19(23)15-8-6-11-4-5-12-7-9-16(20(21)24)18(15)17(11)12/h1-3,6-10,22H,4-5H2
InChIKeyPJVYWXGYENRUJH-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.44
Rot. Bonds1

About 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (PubChem CID 692657) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
PubChem CID692657
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(O)c1)CC3
InChIInChI=1S/C20H13NO3/c22-14-3-1-2-13(10-14)21-19(23)15-8-6-11-4-5-12-7-9-16(20(21)24)18(15)17(11)12/h1-3,6-10,22H,4-5H2
InChIKeyPJVYWXGYENRUJH-UHFFFAOYSA-N
XLogP3.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The IUPAC name of 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (CID 692657) is 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.
What is the SMILES notation for 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The canonical SMILES for 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(O)c1)CC3.
What is the InChIKey of 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The InChIKey is PJVYWXGYENRUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-14-3-1-2-13(10-14)21-19(23)15-8-6-11-4-5-12-7-9-16(20(21)24)18(15)17(11)12/h1-3,6-10,22H,4-5H2.
What are the key properties of 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione has a molecular weight of 315.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is sourced from PubChem (CID 692657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).