(7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione

C25H29N3O3 — CID 163046377

IUPAC(7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione
SMILESO=C1NCC[C@@H]2c3ccccc3C=CC(=O)N2CCCCN[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C25H29N3O3/c29-22-13-12-18-8-4-5-11-20(18)21-14-16-27-25(31)24(30)23(19-9-2-1-3-10-19)26-15-6-7-17-28(21)22/h1-5,8-13,21,23-24,26,30H,6-7,14-17H2,(H,27,31)/t21-,23-,24-/m1/s1
InChIKeySIQVIAKJJUTAEQ-GMKZXUHWSA-N
MW419.53 g/mol
LogP2.58
Rot. Bonds1

About (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione

(7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione (PubChem CID 163046377) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione.

Molecular Properties

Compound Name(7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione
PubChem CID163046377
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione
SMILESO=C1NCC[C@@H]2c3ccccc3C=CC(=O)N2CCCCN[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C25H29N3O3/c29-22-13-12-18-8-4-5-11-20(18)21-14-16-27-25(31)24(30)23(19-9-2-1-3-10-19)26-15-6-7-17-28(21)22/h1-5,8-13,21,23-24,26,30H,6-7,14-17H2,(H,27,31)/t21-,23-,24-/m1/s1
InChIKeySIQVIAKJJUTAEQ-GMKZXUHWSA-N
XLogP2.58
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione?
The IUPAC name of (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione (CID 163046377) is (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione.
What is the SMILES notation for (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione?
The canonical SMILES for (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione is O=C1NCC[C@@H]2c3ccccc3C=CC(=O)N2CCCCN[C@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione?
The InChIKey is SIQVIAKJJUTAEQ-GMKZXUHWSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-22-13-12-18-8-4-5-11-20(18)21-14-16-27-25(31)24(30)23(19-9-2-1-3-10-19)26-15-6-7-17-28(21)22/h1-5,8-13,21,23-24,26,30H,6-7,14-17H2,(H,27,31)/t21-,23-,24-/m1/s1.
What are the key properties of (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione?
(7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione has a molecular weight of 419.53 g/mol, XLogP of 2.58, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione is sourced from PubChem (CID 163046377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).