phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

C25H20N2O2 — CID 71600793

IUPACphenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESO=C(c1ccccc1)N1CCOc2ccc(-c3cnc4ccccc4c3)cc2C1
InChIInChI=1S/C25H20N2O2/c28-25(18-6-2-1-3-7-18)27-12-13-29-24-11-10-19(14-22(24)17-27)21-15-20-8-4-5-9-23(20)26-16-21/h1-11,14-16H,12-13,17H2
InChIKeyUHAMRSPMEPBPTD-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.94
Rot. Bonds2

About phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (PubChem CID 71600793) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
PubChem CID71600793
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Namephenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESO=C(c1ccccc1)N1CCOc2ccc(-c3cnc4ccccc4c3)cc2C1
InChIInChI=1S/C25H20N2O2/c28-25(18-6-2-1-3-7-18)27-12-13-29-24-11-10-19(14-22(24)17-27)21-15-20-8-4-5-9-23(20)26-16-21/h1-11,14-16H,12-13,17H2
InChIKeyUHAMRSPMEPBPTD-UHFFFAOYSA-N
XLogP4.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The IUPAC name of phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (CID 71600793) is phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.
What is the SMILES notation for phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The canonical SMILES for phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is O=C(c1ccccc1)N1CCOc2ccc(-c3cnc4ccccc4c3)cc2C1.
What is the InChIKey of phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The InChIKey is UHAMRSPMEPBPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-25(18-6-2-1-3-7-18)27-12-13-29-24-11-10-19(14-22(24)17-27)21-15-20-8-4-5-9-23(20)26-16-21/h1-11,14-16H,12-13,17H2.
What are the key properties of phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is sourced from PubChem (CID 71600793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).