(5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine

C22H17NO — CID 102221448

IUPAC(5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine
SMILESC1=C[C@@H]2O[C@H](c3ccccc3)c3ccccc3N2c2ccccc21
InChIInChI=1S/C22H17NO/c1-2-9-17(10-3-1)22-18-11-5-7-13-20(18)23-19-12-6-4-8-16(19)14-15-21(23)24-22/h1-15,21-22H/t21-,22+/m0/s1
InChIKeyLTNCPOANVSAKEJ-FCHUYYIVSA-N
MW311.38 g/mol
LogP5.30
Rot. Bonds1

About (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine

(5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine (PubChem CID 102221448) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine.

Molecular Properties

Compound Name(5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine
PubChem CID102221448
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine
SMILESC1=C[C@@H]2O[C@H](c3ccccc3)c3ccccc3N2c2ccccc21
InChIInChI=1S/C22H17NO/c1-2-9-17(10-3-1)22-18-11-5-7-13-20(18)23-19-12-6-4-8-16(19)14-15-21(23)24-22/h1-15,21-22H/t21-,22+/m0/s1
InChIKeyLTNCPOANVSAKEJ-FCHUYYIVSA-N
XLogP5.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine?
The IUPAC name of (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine (CID 102221448) is (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine.
What is the SMILES notation for (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine?
The canonical SMILES for (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine is C1=C[C@@H]2O[C@H](c3ccccc3)c3ccccc3N2c2ccccc21.
What is the InChIKey of (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine?
The InChIKey is LTNCPOANVSAKEJ-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H17NO/c1-2-9-17(10-3-1)22-18-11-5-7-13-20(18)23-19-12-6-4-8-16(19)14-15-21(23)24-22/h1-15,21-22H/t21-,22+/m0/s1.
What are the key properties of (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine?
(5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine has a molecular weight of 311.38 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6aS)-5-phenyl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine is sourced from PubChem (CID 102221448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).