2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one

C23H16N4O6 — CID 173089078

IUPAC2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCn1c(=O)oc2cc(C3Oc4cccnc4N(c4ccc5c(c4)NC(=O)CO5)C3=O)ccc21
InChIInChI=1S/C23H16N4O6/c1-26-15-6-4-12(9-18(15)33-23(26)30)20-22(29)27(21-17(32-20)3-2-8-24-21)13-5-7-16-14(10-13)25-19(28)11-31-16/h2-10,20H,11H2,1H3,(H,25,28)
InChIKeyXFYMTXYKWCCLJL-UHFFFAOYSA-N
MW444.40 g/mol
LogP2.66
Rot. Bonds2

About 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one

2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 173089078) has the molecular formula C23H16N4O6 and a molecular weight of 444.40 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID173089078
Molecular FormulaC23H16N4O6
Molecular Weight444.40 g/mol
Exact Mass444.11
IUPAC Name2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCn1c(=O)oc2cc(C3Oc4cccnc4N(c4ccc5c(c4)NC(=O)CO5)C3=O)ccc21
InChIInChI=1S/C23H16N4O6/c1-26-15-6-4-12(9-18(15)33-23(26)30)20-22(29)27(21-17(32-20)3-2-8-24-21)13-5-7-16-14(10-13)25-19(28)11-31-16/h2-10,20H,11H2,1H3,(H,25,28)
InChIKeyXFYMTXYKWCCLJL-UHFFFAOYSA-N
XLogP2.66
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one (CID 173089078) is 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one is Cn1c(=O)oc2cc(C3Oc4cccnc4N(c4ccc5c(c4)NC(=O)CO5)C3=O)ccc21.
What is the InChIKey of 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is XFYMTXYKWCCLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O6/c1-26-15-6-4-12(9-18(15)33-23(26)30)20-22(29)27(21-17(32-20)3-2-8-24-21)13-5-7-16-14(10-13)25-19(28)11-31-16/h2-10,20H,11H2,1H3,(H,25,28).
What are the key properties of 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one?
2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 444.40 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 173089078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).