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

C20H18N4O5S — CID 146320012

IUPAC5-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
SMILESC=CC(=O)N1CCOc2nnc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21
InChIInChI=1S/C20H18N4O5S/c1-2-16(26)24-5-8-28-20-14(24)9-13(21-22-20)12-11-30-19-15(25)10-17(29-18(12)19)23-3-6-27-7-4-23/h2,9-11H,1,3-8H2
InChIKeyQXHAZVOSKXDJKQ-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.06
Rot. Bonds3

About 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

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 (PubChem CID 146320012) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID146320012
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC Name5-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
SMILESC=CC(=O)N1CCOc2nnc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21
InChIInChI=1S/C20H18N4O5S/c1-2-16(26)24-5-8-28-20-14(24)9-13(21-22-20)12-11-30-19-15(25)10-17(29-18(12)19)23-3-6-27-7-4-23/h2,9-11H,1,3-8H2
InChIKeyQXHAZVOSKXDJKQ-UHFFFAOYSA-N
XLogP2.06
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
CID 157029185
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
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-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide
CID 146310484
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-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319968
3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N1CCOc2nnc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21.
What is the InChIKey of 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?
The InChIKey is QXHAZVOSKXDJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c1-2-16(26)24-5-8-28-20-14(24)9-13(21-22-20)12-11-30-19-15(25)10-17(29-18(12)19)23-3-6-27-7-4-23/h2,9-11H,1,3-8H2.
What are the key properties of 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?
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 has a molecular weight of 426.45 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146320012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).