4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one

C15H15N3O2 — CID 116990496

IUPAC4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCNc1ccc(C2Oc3cccnc3N(C)C2=O)cc1
InChIInChI=1S/C15H15N3O2/c1-16-11-7-5-10(6-8-11)13-15(19)18(2)14-12(20-13)4-3-9-17-14/h3-9,13,16H,1-2H3
InChIKeyVQDOEPOEVUTSBT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.22
Rot. Bonds2

About 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one

4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990496) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990496
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCNc1ccc(C2Oc3cccnc3N(C)C2=O)cc1
InChIInChI=1S/C15H15N3O2/c1-16-11-7-5-10(6-8-11)13-15(19)18(2)14-12(20-13)4-3-9-17-14/h3-9,13,16H,1-2H3
InChIKeyVQDOEPOEVUTSBT-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 116990496) is 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one is CNc1ccc(C2Oc3cccnc3N(C)C2=O)cc1.
What is the InChIKey of 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VQDOEPOEVUTSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-16-11-7-5-10(6-8-11)13-15(19)18(2)14-12(20-13)4-3-9-17-14/h3-9,13,16H,1-2H3.
What are the key properties of 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 269.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).