(15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C31H21ClN2O2 — CID 26476976

IUPAC(15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1[C@H]2C3c4ccccc4C(/C=N/c4ccccc4)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1Cl
InChIInChI=1S/C31H21ClN2O2/c32-24-16-8-9-17-25(24)34-29(35)27-26-20-12-4-6-14-22(20)31(28(27)30(34)36,23-15-7-5-13-21(23)26)18-33-19-10-2-1-3-11-19/h1-18,26-28H/b33-18+/t26?,27-,28+,31?/m0/s1
InChIKeyOIHKCXFJPFFNMS-LYAITZIZSA-N
MW488.97 g/mol
LogP6.29
Rot. Bonds3

About (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

(15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 26476976) has the molecular formula C31H21ClN2O2 and a molecular weight of 488.97 g/mol. Its IUPAC name is (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-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 Name(15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID26476976
Molecular FormulaC31H21ClN2O2
Molecular Weight488.97 g/mol
Exact Mass488.13
IUPAC Name(15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1[C@H]2C3c4ccccc4C(/C=N/c4ccccc4)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1Cl
InChIInChI=1S/C31H21ClN2O2/c32-24-16-8-9-17-25(24)34-29(35)27-26-20-12-4-6-14-22(20)31(28(27)30(34)36,23-15-7-5-13-21(23)26)18-33-19-10-2-1-3-11-19/h1-18,26-28H/b33-18+/t26?,27-,28+,31?/m0/s1
InChIKeyOIHKCXFJPFFNMS-LYAITZIZSA-N
XLogP6.29
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.97
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-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 (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 26476976) is (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-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 (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-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 (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C1[C@H]2C3c4ccccc4C(/C=N/c4ccccc4)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1Cl.
What is the InChIKey of (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-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 OIHKCXFJPFFNMS-LYAITZIZSA-N. The full InChI is InChI=1S/C31H21ClN2O2/c32-24-16-8-9-17-25(24)34-29(35)27-26-20-12-4-6-14-22(20)31(28(27)30(34)36,23-15-7-5-13-21(23)26)18-33-19-10-2-1-3-11-19/h1-18,26-28H/b33-18+/t26?,27-,28+,31?/m0/s1.
What are the key properties of (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
(15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-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 488.97 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,19S)-17-(2-chlorophenyl)-1-(phenyliminomethyl)-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 26476976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).