6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione

C19H17NO4 — CID 54708948

IUPAC6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione
SMILESO=c1cc(O)c2c(=O)n(-c3ccccc3)c3c(c2o1)CCCCC3
InChIInChI=1S/C19H17NO4/c21-15-11-16(22)24-18-13-9-5-2-6-10-14(13)20(19(23)17(15)18)12-7-3-1-4-8-12/h1,3-4,7-8,11,21H,2,5-6,9-10H2
InChIKeyUJULPFLINBSTGO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.92
Rot. Bonds1

About 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione

6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione (PubChem CID 54708948) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione.

Molecular Properties

Compound Name6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione
PubChem CID54708948
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione
SMILESO=c1cc(O)c2c(=O)n(-c3ccccc3)c3c(c2o1)CCCCC3
InChIInChI=1S/C19H17NO4/c21-15-11-16(22)24-18-13-9-5-2-6-10-14(13)20(19(23)17(15)18)12-7-3-1-4-8-12/h1,3-4,7-8,11,21H,2,5-6,9-10H2
InChIKeyUJULPFLINBSTGO-UHFFFAOYSA-N
XLogP2.92
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione with MolForge

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Related Compounds

4-hydroxy-6-phenyl-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54681623
4-hydroxy-3-isopropyl-1-phenyl-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 54682888
6-cyclohexyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54687594
6-butyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54694076
4-hydroxy-6-phenyl-7,8,9,10,11,12-hexahydro-2H-cycloocta[b]pyrano[2,3-d]pyridine-2,5(6H)-dione
CID 54708949
4-hydroxy-3-methyl-6,7-diphenyl-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 54708978
4-hydroxy-6,7-diphenyl-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 54679722
Methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenyl-1,2-dihydro-3-pyridinecarboxylate
CID 54686065
6-ethyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54687668
4-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 54680924
6-(diphenylamino)-4-hydroxy-7,8,9,10-tetrahydro-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54691806
4-Hydroxy-6-nonylpyrano[3,2-c]quinoline-2,5-dione
CID 168270659

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione?
The IUPAC name of 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione (CID 54708948) is 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione.
What is the SMILES notation for 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione?
The canonical SMILES for 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione is O=c1cc(O)c2c(=O)n(-c3ccccc3)c3c(c2o1)CCCCC3.
What is the InChIKey of 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione?
The InChIKey is UJULPFLINBSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-15-11-16(22)24-18-13-9-5-2-6-10-14(13)20(19(23)17(15)18)12-7-3-1-4-8-12/h1,3-4,7-8,11,21H,2,5-6,9-10H2.
What are the key properties of 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione?
6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione has a molecular weight of 323.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.5.0.02,7]pentadeca-1(10),2(7),5-triene-4,8-dione is sourced from PubChem (CID 54708948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).