(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate

C15H14N2O3 — CID 53320294

IUPAC(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate
SMILESCN1CCOc2cc(OC(=O)c3ccccc3)cnc21
InChIInChI=1S/C15H14N2O3/c1-17-7-8-19-13-9-12(10-16-14(13)17)20-15(18)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyDTNUUARSOITKQB-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.13
Rot. Bonds2

About (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate

(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate (PubChem CID 53320294) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate.

Molecular Properties

Compound Name(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate
PubChem CID53320294
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate
SMILESCN1CCOc2cc(OC(=O)c3ccccc3)cnc21
InChIInChI=1S/C15H14N2O3/c1-17-7-8-19-13-9-12(10-16-14(13)17)20-15(18)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyDTNUUARSOITKQB-UHFFFAOYSA-N
XLogP2.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-7-(phenoxymethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
CID 51003564
4-ethyl-7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53321036
4-(6-Amino-5-phenylmethoxy-3-pyridinyl)benzoic acid
CID 21111459
Methyl 2-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
CID 6620818
4-methyl-7-(phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 51003580
4-(2-methoxyethyl)-7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53317122
(E)-4-methyl-7-styryl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53326305
(3E)-3-[[6-(dimethylamino)-3-pyridinyl]methylidene]chromen-4-one
CID 127051347
1-[4-[4-(4-Pyridin-2-ylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 155522957
(E)-3-(dimethylamino)-1-(4-{2-[methyl(2-pyridinyl)amino]ethoxy}phenyl)-2-propen-1-one
CID 5815537
Methyl 4-[(2-nitropyridin-3-yl)oxymethyl]benzoate
CID 16306853
3-Benzyl-1,5-dimethyl-6-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione
CID 44371037

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate?
The IUPAC name of (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate (CID 53320294) is (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate.
What is the SMILES notation for (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate?
The canonical SMILES for (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate is CN1CCOc2cc(OC(=O)c3ccccc3)cnc21.
What is the InChIKey of (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate?
The InChIKey is DTNUUARSOITKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17-7-8-19-13-9-12(10-16-14(13)17)20-15(18)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate?
(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate has a molecular weight of 270.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl) benzoate is sourced from PubChem (CID 53320294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).