11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione

C21H25N3O3 — CID 170666510

IUPAC11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
SMILESCN1C(=O)c2c(O)c(=O)ccn2N2C1CCC(C)(C)C2(C)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-20(2)12-10-16-22(4)19(27)17-18(26)15(25)11-13-23(17)24(16)21(20,3)14-8-6-5-7-9-14/h5-9,11,13,16,26H,10,12H2,1-4H3
InChIKeyKRZWAZHWIFESOB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.64
Rot. Bonds1

About 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione

11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione (PubChem CID 170666510) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
PubChem CID170666510
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
SMILESCN1C(=O)c2c(O)c(=O)ccn2N2C1CCC(C)(C)C2(C)c1ccccc1
InChIInChI=1S/C21H25N3O3/c1-20(2)12-10-16-22(4)19(27)17-18(26)15(25)11-13-23(17)24(16)21(20,3)14-8-6-5-7-9-14/h5-9,11,13,16,26H,10,12H2,1-4H3
InChIKeyKRZWAZHWIFESOB-UHFFFAOYSA-N
XLogP2.64
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione (CID 170666510) is 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione is CN1C(=O)c2c(O)c(=O)ccn2N2C1CCC(C)(C)C2(C)c1ccccc1.
What is the InChIKey of 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
The InChIKey is KRZWAZHWIFESOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-20(2)12-10-16-22(4)19(27)17-18(26)15(25)11-13-23(17)24(16)21(20,3)14-8-6-5-7-9-14/h5-9,11,13,16,26H,10,12H2,1-4H3.
What are the key properties of 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione?
11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione has a molecular weight of 367.45 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-3,4,4,8-tetramethyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 170666510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).