4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

C21H21N5O3 — CID 58071934

IUPAC4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCN1CCOc2cc(-c3cc4ncccc4c(OCC4CNC(=O)C4)n3)cnc21
InChIInChI=1S/C21H21N5O3/c1-26-5-6-28-18-8-14(11-24-20(18)26)16-9-17-15(3-2-4-22-17)21(25-16)29-12-13-7-19(27)23-10-13/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,23,27)
InChIKeyUOECNKIDCIICKR-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.04
Rot. Bonds4

About 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 58071934) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID58071934
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCN1CCOc2cc(-c3cc4ncccc4c(OCC4CNC(=O)C4)n3)cnc21
InChIInChI=1S/C21H21N5O3/c1-26-5-6-28-18-8-14(11-24-20(18)26)16-9-17-15(3-2-4-22-17)21(25-16)29-12-13-7-19(27)23-10-13/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,23,27)
InChIKeyUOECNKIDCIICKR-UHFFFAOYSA-N
XLogP2.04
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 58071934) is 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is CN1CCOc2cc(-c3cc4ncccc4c(OCC4CNC(=O)C4)n3)cnc21.
What is the InChIKey of 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is UOECNKIDCIICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-26-5-6-28-18-8-14(11-24-20(18)26)16-9-17-15(3-2-4-22-17)21(25-16)29-12-13-7-19(27)23-10-13/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,23,27).
What are the key properties of 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 391.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).