(6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine

C23H16F3NO — CID 102530618

IUPAC(6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine
SMILESFC(F)(F)[C@]1(c2ccccc2)OC2c3ccccc3C=CN2c2ccccc21
InChIInChI=1S/C23H16F3NO/c24-23(25,26)22(17-9-2-1-3-10-17)19-12-6-7-13-20(19)27-15-14-16-8-4-5-11-18(16)21(27)28-22/h1-15,21H/t21?,22-/m1/s1
InChIKeyUOFATDUNMCOCLC-FOIFJWKZSA-N
MW379.38 g/mol
LogP6.01
Rot. Bonds1

About (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine

(6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine (PubChem CID 102530618) has the molecular formula C23H16F3NO and a molecular weight of 379.38 g/mol. Its IUPAC name is (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine.

Molecular Properties

Compound Name(6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine
PubChem CID102530618
Molecular FormulaC23H16F3NO
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name(6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine
SMILESFC(F)(F)[C@]1(c2ccccc2)OC2c3ccccc3C=CN2c2ccccc21
InChIInChI=1S/C23H16F3NO/c24-23(25,26)22(17-9-2-1-3-10-17)19-12-6-7-13-20(19)27-15-14-16-8-4-5-11-18(16)21(27)28-22/h1-15,21H/t21?,22-/m1/s1
InChIKeyUOFATDUNMCOCLC-FOIFJWKZSA-N
XLogP6.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine 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 (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine?
The IUPAC name of (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine (CID 102530618) is (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine.
What is the SMILES notation for (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine?
The canonical SMILES for (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine is FC(F)(F)[C@]1(c2ccccc2)OC2c3ccccc3C=CN2c2ccccc21.
What is the InChIKey of (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine?
The InChIKey is UOFATDUNMCOCLC-FOIFJWKZSA-N. The full InChI is InChI=1S/C23H16F3NO/c24-23(25,26)22(17-9-2-1-3-10-17)19-12-6-7-13-20(19)27-15-14-16-8-4-5-11-18(16)21(27)28-22/h1-15,21H/t21?,22-/m1/s1.
What are the key properties of (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine?
(6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine has a molecular weight of 379.38 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine is sourced from PubChem (CID 102530618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).