naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone

C25H20N2O2 — CID 67177561

IUPACnaphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCOc2nccc(-c3ccccc3)c2C1
InChIInChI=1S/C25H20N2O2/c28-25(22-12-6-10-19-9-4-5-11-20(19)22)27-15-16-29-24-23(17-27)21(13-14-26-24)18-7-2-1-3-8-18/h1-14H,15-17H2
InChIKeyHIMUAORTPNNSED-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.94
Rot. Bonds2

About naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone

naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone (PubChem CID 67177561) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone
PubChem CID67177561
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Namenaphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCOc2nccc(-c3ccccc3)c2C1
InChIInChI=1S/C25H20N2O2/c28-25(22-12-6-10-19-9-4-5-11-20(19)22)27-15-16-29-24-23(17-27)21(13-14-26-24)18-7-2-1-3-8-18/h1-14H,15-17H2
InChIKeyHIMUAORTPNNSED-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 naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone?
The IUPAC name of naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone (CID 67177561) is naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone is O=C(c1cccc2ccccc12)N1CCOc2nccc(-c3ccccc3)c2C1.
What is the InChIKey of naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone?
The InChIKey is HIMUAORTPNNSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-25(22-12-6-10-19-9-4-5-11-20(19)22)27-15-16-29-24-23(17-27)21(13-14-26-24)18-7-2-1-3-8-18/h1-14H,15-17H2.
What are the key properties of naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone?
naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-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 naphthalen-1-yl-(6-phenyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl)methanone is sourced from PubChem (CID 67177561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).