8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H17FN6O4 — CID 72948007

IUPAC8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCn1c(Nc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc4c3OCC(=O)N4)cn2)c1=O
InChIInChI=1S/C23H17FN6O4/c1-30-22(32)16(11-27-23(30)28-14-4-2-13(24)3-5-14)17-7-6-15(10-26-17)34-18-8-9-25-21-20(18)33-12-19(31)29-21/h2-11H,12H2,1H3,(H,27,28)(H,25,29,31)
InChIKeyVPJGESSPJGADBC-UHFFFAOYSA-N
MW460.43 g/mol
LogP3.24
Rot. Bonds5

About 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one

8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72948007) has the molecular formula C23H17FN6O4 and a molecular weight of 460.43 g/mol. Its IUPAC name is 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72948007
Molecular FormulaC23H17FN6O4
Molecular Weight460.43 g/mol
Exact Mass460.13
IUPAC Name8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCn1c(Nc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc4c3OCC(=O)N4)cn2)c1=O
InChIInChI=1S/C23H17FN6O4/c1-30-22(32)16(11-27-23(30)28-14-4-2-13(24)3-5-14)17-7-6-15(10-26-17)34-18-8-9-25-21-20(18)33-12-19(31)29-21/h2-11H,12H2,1H3,(H,27,28)(H,25,29,31)
InChIKeyVPJGESSPJGADBC-UHFFFAOYSA-N
XLogP3.24
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 72948007) is 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cn1c(Nc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc4c3OCC(=O)N4)cn2)c1=O.
What is the InChIKey of 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VPJGESSPJGADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O4/c1-30-22(32)16(11-27-23(30)28-14-4-2-13(24)3-5-14)17-7-6-15(10-26-17)34-18-8-9-25-21-20(18)33-12-19(31)29-21/h2-11H,12H2,1H3,(H,27,28)(H,25,29,31).
What are the key properties of 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 460.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72948007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).