5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one

C21H21N3O4S — CID 153397302

IUPAC5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one
SMILESC=CCN1CCOc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)nc21
InChIInChI=1S/C21H21N3O4S/c1-2-5-24-8-11-27-17-4-3-15(22-21(17)24)14-13-29-20-16(25)12-18(28-19(14)20)23-6-9-26-10-7-23/h2-4,12-13H,1,5-11H2
InChIKeyGZFSXAATMWHLLK-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.14
Rot. Bonds4

About 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one

5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one (PubChem CID 153397302) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one
PubChem CID153397302
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one
SMILESC=CCN1CCOc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)nc21
InChIInChI=1S/C21H21N3O4S/c1-2-5-24-8-11-27-17-4-3-15(22-21(17)24)14-13-29-20-16(25)12-18(28-19(14)20)23-6-9-26-10-7-23/h2-4,12-13H,1,5-11H2
InChIKeyGZFSXAATMWHLLK-UHFFFAOYSA-N
XLogP3.14
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one with MolForge

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Related Compounds

3-(4-ethenylsulfonyl-5-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319911
3-(4-ethenylsulfanyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397315
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
5-morpholin-4-yl-3-(5-prop-2-enoyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-yl)thieno[3,2-b]pyran-7-one
CID 146320012
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
5-morpholin-4-yl-3-(4-prop-2-enoyl-2,3-dihydro-1H-quinoxalin-6-yl)thieno[3,2-b]pyran-7-one
CID 146320011
3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307
5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
CID 157029185
ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
CID 142505811
5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
CID 158740173
3-[4-(cyclopentene-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319979
N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide
CID 146310484

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one?
The IUPAC name of 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one (CID 153397302) is 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one.
What is the SMILES notation for 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one?
The canonical SMILES for 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one is C=CCN1CCOc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)nc21.
What is the InChIKey of 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one?
The InChIKey is GZFSXAATMWHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-2-5-24-8-11-27-17-4-3-15(22-21(17)24)14-13-29-20-16(25)12-18(28-19(14)20)23-6-9-26-10-7-23/h2-4,12-13H,1,5-11H2.
What are the key properties of 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one?
5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one has a molecular weight of 411.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one is sourced from PubChem (CID 153397302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).