2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

C24H28N6O3S — CID 121335777

IUPAC2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)sc21
InChIInChI=1S/C24H28N6O3S/c31-23-22-18(5-6-27-23)29-24(34-22)28-15-1-3-17(4-2-15)33-20-14-16(30-9-11-32-12-10-30)13-19-21(20)26-8-7-25-19/h7-8,13-15,17H,1-6,9-12H2,(H,27,31)(H,28,29)
InChIKeyMYLFQELIUYHCGL-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.01
Rot. Bonds5

About 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 121335777) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID121335777
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)sc21
InChIInChI=1S/C24H28N6O3S/c31-23-22-18(5-6-27-23)29-24(34-22)28-15-1-3-17(4-2-15)33-20-14-16(30-9-11-32-12-10-30)13-19-21(20)26-8-7-25-19/h7-8,13-15,17H,1-6,9-12H2,(H,27,31)(H,28,29)
InChIKeyMYLFQELIUYHCGL-UHFFFAOYSA-N
XLogP3.01
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 121335777) is 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1NCCc2nc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)sc21.
What is the InChIKey of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is MYLFQELIUYHCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c31-23-22-18(5-6-27-23)29-24(34-22)28-15-1-3-17(4-2-15)33-20-14-16(30-9-11-32-12-10-30)13-19-21(20)26-8-7-25-19/h7-8,13-15,17H,1-6,9-12H2,(H,27,31)(H,28,29).
What are the key properties of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 480.59 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 121335777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).