2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C14H12N2O2 — CID 117000701

IUPAC2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1Oc2cc(-c3ccccc3)cnc2NC1=O
InChIInChI=1S/C14H12N2O2/c1-9-14(17)16-13-12(18-9)7-11(8-15-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16,17)
InChIKeyMNBXQFFTPLTFEJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.47
Rot. Bonds1

About 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 117000701) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID117000701
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1Oc2cc(-c3ccccc3)cnc2NC1=O
InChIInChI=1S/C14H12N2O2/c1-9-14(17)16-13-12(18-9)7-11(8-15-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16,17)
InChIKeyMNBXQFFTPLTFEJ-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 117000701) is 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC1Oc2cc(-c3ccccc3)cnc2NC1=O.
What is the InChIKey of 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is MNBXQFFTPLTFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-14(17)16-13-12(18-9)7-11(8-15-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16,17).
What are the key properties of 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 240.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 117000701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).