3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one

C24H23N3O4S — CID 146319968

IUPAC3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
SMILESCC#CC(=O)N1CCN(C)c2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21
InChIInChI=1S/C24H23N3O4S/c1-3-4-21(29)27-8-7-25(2)18-6-5-16(13-19(18)27)17-15-32-24-20(28)14-22(31-23(17)24)26-9-11-30-12-10-26/h5-6,13-15H,7-12H2,1-2H3
InChIKeyIAENFVJPUKMPCC-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.16
Rot. Bonds2

About 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one

3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one (PubChem CID 146319968) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
PubChem CID146319968
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
SMILESCC#CC(=O)N1CCN(C)c2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21
InChIInChI=1S/C24H23N3O4S/c1-3-4-21(29)27-8-7-25(2)18-6-5-16(13-19(18)27)17-15-32-24-20(28)14-22(31-23(17)24)26-9-11-30-12-10-26/h5-6,13-15H,7-12H2,1-2H3
InChIKeyIAENFVJPUKMPCC-UHFFFAOYSA-N
XLogP3.16
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-(1-but-2-ynoylindazol-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146320030
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
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
CID 142505751
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
N-[4-fluoro-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]but-2-ynamide
CID 146319971
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
5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
CID 157029185
2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal
CID 166764674
2-chloro-2-fluoro-N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]acetamide
CID 146320046
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
CID 142505811

Frequently Asked Questions

What is the IUPAC name of 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one?
The IUPAC name of 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one (CID 146319968) is 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one.
What is the SMILES notation for 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one?
The canonical SMILES for 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one is CC#CC(=O)N1CCN(C)c2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21.
What is the InChIKey of 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one?
The InChIKey is IAENFVJPUKMPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-4-21(29)27-8-7-25(2)18-6-5-16(13-19(18)27)17-15-32-24-20(28)14-22(31-23(17)24)26-9-11-30-12-10-26/h5-6,13-15H,7-12H2,1-2H3.
What are the key properties of 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one?
3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one has a molecular weight of 449.53 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one is sourced from PubChem (CID 146319968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).