15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione

C23H19Cl2N3O5 — CID 166457564

IUPAC15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione
SMILESCC(=O)c1ccc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3c2cc(Cl)c(O)c3Cl)cc1
InChIInChI=1S/C23H19Cl2N3O5/c1-11(29)12-4-6-13(7-5-12)27-21(31)26-9-8-15-18(28(26)22(27)32)14-10-16(24)19(30)17(25)20(14)33-23(15,2)3/h4-8,10,18,30H,9H2,1-3H3
InChIKeyDYRLLGNWWCBARO-UHFFFAOYSA-N
MW488.33 g/mol
LogP3.72
Rot. Bonds2

About 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione

15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione (PubChem CID 166457564) has the molecular formula C23H19Cl2N3O5 and a molecular weight of 488.33 g/mol. Its IUPAC name is 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione.

Molecular Properties

Compound Name15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione
PubChem CID166457564
Molecular FormulaC23H19Cl2N3O5
Molecular Weight488.33 g/mol
Exact Mass487.07
IUPAC Name15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione
SMILESCC(=O)c1ccc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3c2cc(Cl)c(O)c3Cl)cc1
InChIInChI=1S/C23H19Cl2N3O5/c1-11(29)12-4-6-13(7-5-12)27-21(31)26-9-8-15-18(28(26)22(27)32)14-10-16(24)19(30)17(25)20(14)33-23(15,2)3/h4-8,10,18,30H,9H2,1-3H3
InChIKeyDYRLLGNWWCBARO-UHFFFAOYSA-N
XLogP3.72
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione?
The IUPAC name of 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione (CID 166457564) is 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione.
What is the SMILES notation for 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione?
The canonical SMILES for 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione is CC(=O)c1ccc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3c2cc(Cl)c(O)c3Cl)cc1.
What is the InChIKey of 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione?
The InChIKey is DYRLLGNWWCBARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O5/c1-11(29)12-4-6-13(7-5-12)27-21(31)26-9-8-15-18(28(26)22(27)32)14-10-16(24)19(30)17(25)20(14)33-23(15,2)3/h4-8,10,18,30H,9H2,1-3H3.
What are the key properties of 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione?
15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione has a molecular weight of 488.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione is sourced from PubChem (CID 166457564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).