azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C15H20N2O2 — CID 64563061

IUPACazepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCOc2ccccc21
InChIInChI=1S/C15H20N2O2/c18-15(12-6-2-1-5-9-16-12)17-10-11-19-14-8-4-3-7-13(14)17/h3-4,7-8,12,16H,1-2,5-6,9-11H2
InChIKeyVNDBESMAVKYCIH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds1

About azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 64563061) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID64563061
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameazepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(C1CCCCCN1)N1CCOc2ccccc21
InChIInChI=1S/C15H20N2O2/c18-15(12-6-2-1-5-9-16-12)17-10-11-19-14-8-4-3-7-13(14)17/h3-4,7-8,12,16H,1-2,5-6,9-11H2
InChIKeyVNDBESMAVKYCIH-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 102892507
1-[(2S)-piperidine-2-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 104913606
2-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 154564468
[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 98719085
(3aS,7aS)-2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98412866
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
CID 61260164
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
CID 119324720

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 64563061) is azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(C1CCCCCN1)N1CCOc2ccccc21.
What is the InChIKey of azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is VNDBESMAVKYCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(12-6-2-1-5-9-16-12)17-10-11-19-14-8-4-3-7-13(14)17/h3-4,7-8,12,16H,1-2,5-6,9-11H2.
What are the key properties of azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 64563061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).