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

C19H15NO2 — CID 46299935

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCOc2ccccc21
InChIInChI=1S/C19H15NO2/c21-19(16-9-5-7-14-6-1-2-8-15(14)16)20-12-13-22-18-11-4-3-10-17(18)20/h1-11H,12-13H2
InChIKeyLTBFUGMZCRMCDM-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.88
Rot. Bonds1

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

2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone (PubChem CID 46299935) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone
PubChem CID46299935
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCOc2ccccc21
InChIInChI=1S/C19H15NO2/c21-19(16-9-5-7-14-6-1-2-8-15(14)16)20-12-13-22-18-11-4-3-10-17(18)20/h1-11H,12-13H2
InChIKeyLTBFUGMZCRMCDM-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-2-chlorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 115930230
2,3-dihydro-1,4-benzoxazin-4-yl-(4,5-dimethylthiophen-3-yl)methanone
CID 84554311
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)methanone
CID 103993170
(2-amino-4-fluorophenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 63109754
(5-amino-2,4-dimethylphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 102705146
naphthalen-1-yl(9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)methanone
CID 154179948
(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 117213570
N-[[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]methyl]acetamide
CID 43071892
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(2,5-dihydroxyphenyl)methanone
CID 107723594
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(2,4-dihydroxyphenyl)methanone
CID 103954419
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone
CID 71941938
(2-chloro-5-fluoro-3-pyridinyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 103891964

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone (CID 46299935) is 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone is O=C(c1cccc2ccccc12)N1CCOc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone?
The InChIKey is LTBFUGMZCRMCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19(16-9-5-7-14-6-1-2-8-15(14)16)20-12-13-22-18-11-4-3-10-17(18)20/h1-11H,12-13H2.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone?
2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone is sourced from PubChem (CID 46299935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).