7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C14H12N2O3 — CID 117000658

IUPAC7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccccc1-c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H12N2O3/c1-18-11-5-3-2-4-10(11)9-6-12-14(15-7-9)16-13(17)8-19-12/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyWTAFUABFMLAAQA-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.09
Rot. Bonds2

About 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 117000658) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID117000658
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccccc1-c1cnc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H12N2O3/c1-18-11-5-3-2-4-10(11)9-6-12-14(15-7-9)16-13(17)8-19-12/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyWTAFUABFMLAAQA-UHFFFAOYSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 117000658) is 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccccc1-c1cnc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is WTAFUABFMLAAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-11-5-3-2-4-10(11)9-6-12-14(15-7-9)16-13(17)8-19-12/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 256.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 117000658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).