16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

C23H13NO3 — CID 1040298

IUPAC16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
SMILESO=c1nc2cccc3c2=c(c1=C(O)c1ccccc1)c1ccccc1c3=O
InChIInChI=1S/C23H13NO3/c25-21(13-7-2-1-3-8-13)20-19-14-9-4-5-10-15(14)22(26)16-11-6-12-17(18(16)19)24-23(20)27/h1-12,25H
InChIKeyXUARIJGSPQEERH-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.70
Rot. Bonds1

About 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione (PubChem CID 1040298) has the molecular formula C23H13NO3 and a molecular weight of 351.36 g/mol. Its IUPAC name is 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione.

Molecular Properties

Compound Name16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
PubChem CID1040298
Molecular FormulaC23H13NO3
Molecular Weight351.36 g/mol
Exact Mass351.09
IUPAC Name16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
SMILESO=c1nc2cccc3c2=c(c1=C(O)c1ccccc1)c1ccccc1c3=O
InChIInChI=1S/C23H13NO3/c25-21(13-7-2-1-3-8-13)20-19-14-9-4-5-10-15(14)22(26)16-11-6-12-17(18(16)19)24-23(20)27/h1-12,25H
InChIKeyXUARIJGSPQEERH-UHFFFAOYSA-N
XLogP2.70
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The IUPAC name of 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione (CID 1040298) is 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione.
What is the SMILES notation for 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The canonical SMILES for 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione is O=c1nc2cccc3c2=c(c1=C(O)c1ccccc1)c1ccccc1c3=O.
What is the InChIKey of 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The InChIKey is XUARIJGSPQEERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO3/c25-21(13-7-2-1-3-8-13)20-19-14-9-4-5-10-15(14)22(26)16-11-6-12-17(18(16)19)24-23(20)27/h1-12,25H.
What are the key properties of 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione has a molecular weight of 351.36 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[hydroxy(phenyl)methylidene]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione is sourced from PubChem (CID 1040298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).