6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione

C15H11NO4 — CID 54682192

IUPAC6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione
SMILESO=c1cc(O)c2c(=O)n3c4c(cccc4c2o1)CCC3
InChIInChI=1S/C15H11NO4/c17-10-7-11(18)20-14-9-5-1-3-8-4-2-6-16(13(8)9)15(19)12(10)14/h1,3,5,7,17H,2,4,6H2
InChIKeyNAKALTGIZGZIAU-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.76
Rot. Bonds

About 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione

6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione (PubChem CID 54682192) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione.

Molecular Properties

Compound Name6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione
PubChem CID54682192
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione
SMILESO=c1cc(O)c2c(=O)n3c4c(cccc4c2o1)CCC3
InChIInChI=1S/C15H11NO4/c17-10-7-11(18)20-14-9-5-1-3-8-4-2-6-16(13(8)9)15(19)12(10)14/h1,3,5,7,17H,2,4,6H2
InChIKeyNAKALTGIZGZIAU-UHFFFAOYSA-N
XLogP1.76
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione?
The IUPAC name of 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione (CID 54682192) is 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione.
What is the SMILES notation for 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione?
The canonical SMILES for 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione is O=c1cc(O)c2c(=O)n3c4c(cccc4c2o1)CCC3.
What is the InChIKey of 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione?
The InChIKey is NAKALTGIZGZIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-10-7-11(18)20-14-9-5-1-3-8-4-2-6-16(13(8)9)15(19)12(10)14/h1,3,5,7,17H,2,4,6H2.
What are the key properties of 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione?
6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione has a molecular weight of 269.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,13(17),14-pentaene-4,8-dione is sourced from PubChem (CID 54682192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).