2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone

C15H13ClN2O2 — CID 166227093

IUPAC2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCOc2ccncc21
InChIInChI=1S/C15H13ClN2O2/c16-12-3-1-2-11(8-12)9-15(19)18-6-7-20-14-4-5-17-10-13(14)18/h1-5,8,10H,6-7,9H2
InChIKeyKZHJNYMZMSDOJE-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.70
Rot. Bonds2

About 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone

2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone (PubChem CID 166227093) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
PubChem CID166227093
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCOc2ccncc21
InChIInChI=1S/C15H13ClN2O2/c16-12-3-1-2-11(8-12)9-15(19)18-6-7-20-14-4-5-17-10-13(14)18/h1-5,8,10H,6-7,9H2
InChIKeyKZHJNYMZMSDOJE-UHFFFAOYSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 174350925
2-(3-chlorophenyl)-1-(7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 172815998
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)ethanone
CID 110639441
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 136512937
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 66936639
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110714305
1-(8-deuterio-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 175995822
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110639444
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56923008
(3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone;sulfuric acid
CID 44608872
N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 166315197
4-[4-[3-(3-chlorophenyl)propanoyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
CID 175995830

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone (CID 166227093) is 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone is O=C(Cc1cccc(Cl)c1)N1CCOc2ccncc21.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone?
The InChIKey is KZHJNYMZMSDOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-12-3-1-2-11(8-12)9-15(19)18-6-7-20-14-4-5-17-10-13(14)18/h1-5,8,10H,6-7,9H2.
What are the key properties of 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone?
2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone has a molecular weight of 288.73 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone is sourced from PubChem (CID 166227093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).