5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine

C26H19NO — CID 118549285

IUPAC5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine
SMILESC1=CC2OC(c3ccc4ccccc4c3)c3ccccc3N2c2ccccc21
InChIInChI=1S/C26H19NO/c1-2-9-20-17-21(14-13-18(20)7-1)26-22-10-4-6-12-24(22)27-23-11-5-3-8-19(23)15-16-25(27)28-26/h1-17,25-26H
InChIKeyKTUZPPUWNZQNLM-UHFFFAOYSA-N
MW361.44 g/mol
LogP6.45
Rot. Bonds1

About 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine

5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine (PubChem CID 118549285) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine.

Molecular Properties

Compound Name5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine
PubChem CID118549285
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine
SMILESC1=CC2OC(c3ccc4ccccc4c3)c3ccccc3N2c2ccccc21
InChIInChI=1S/C26H19NO/c1-2-9-20-17-21(14-13-18(20)7-1)26-22-10-4-6-12-24(22)27-23-11-5-3-8-19(23)15-16-25(27)28-26/h1-17,25-26H
InChIKeyKTUZPPUWNZQNLM-UHFFFAOYSA-N
XLogP6.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-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 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine?
The IUPAC name of 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine (CID 118549285) is 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine.
What is the SMILES notation for 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine?
The canonical SMILES for 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine is C1=CC2OC(c3ccc4ccccc4c3)c3ccccc3N2c2ccccc21.
What is the InChIKey of 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine?
The InChIKey is KTUZPPUWNZQNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO/c1-2-9-20-17-21(14-13-18(20)7-1)26-22-10-4-6-12-24(22)27-23-11-5-3-8-19(23)15-16-25(27)28-26/h1-17,25-26H.
What are the key properties of 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine?
5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine has a molecular weight of 361.44 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-5,6a-dihydroquinolino[1,2-a][3,1]benzoxazine is sourced from PubChem (CID 118549285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).