1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C24H17NO3 — CID 85180232

IUPAC1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1C2C3c4ccccc4C(O)(c4ccccc43)C2C(=O)N1c1ccccc1
InChIInChI=1S/C24H17NO3/c26-22-20-19-15-10-4-6-12-17(15)24(28,18-13-7-5-11-16(18)19)21(20)23(27)25(22)14-8-2-1-3-9-14/h1-13,19-21,28H
InChIKeyDESCGYIRGMXULH-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.19
Rot. Bonds1

About 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 85180232) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

Compound Name1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID85180232
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1C2C3c4ccccc4C(O)(c4ccccc43)C2C(=O)N1c1ccccc1
InChIInChI=1S/C24H17NO3/c26-22-20-19-15-10-4-6-12-17(15)24(28,18-13-7-5-11-16(18)19)21(20)23(27)25(22)14-8-2-1-3-9-14/h1-13,19-21,28H
InChIKeyDESCGYIRGMXULH-UHFFFAOYSA-N
XLogP3.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.19
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 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The IUPAC name of 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 85180232) is 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
What is the SMILES notation for 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The canonical SMILES for 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C1C2C3c4ccccc4C(O)(c4ccccc43)C2C(=O)N1c1ccccc1.
What is the InChIKey of 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The InChIKey is DESCGYIRGMXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c26-22-20-19-15-10-4-6-12-17(15)24(28,18-13-7-5-11-16(18)19)21(20)23(27)25(22)14-8-2-1-3-9-14/h1-13,19-21,28H.
What are the key properties of 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 367.40 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 85180232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).