2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one

C25H19NO4S — CID 11502854

IUPAC2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c3Oc3ccccc3S4)cccc12
InChIInChI=1S/C25H19NO4S/c27-19-15-23(26-11-13-28-14-12-26)30-24-16(5-3-7-18(19)24)17-6-4-10-22-25(17)29-20-8-1-2-9-21(20)31-22/h1-10,15H,11-14H2
InChIKeyIAMQVMPIHMBYSY-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.55
Rot. Bonds2

About 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one

2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one (PubChem CID 11502854) has the molecular formula C25H19NO4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one
PubChem CID11502854
Molecular FormulaC25H19NO4S
Molecular Weight429.50 g/mol
Exact Mass429.10
IUPAC Name2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc4c3Oc3ccccc3S4)cccc12
InChIInChI=1S/C25H19NO4S/c27-19-15-23(26-11-13-28-14-12-26)30-24-16(5-3-7-18(19)24)17-6-4-10-22-25(17)29-20-8-1-2-9-21(20)31-22/h1-10,15H,11-14H2
InChIKeyIAMQVMPIHMBYSY-UHFFFAOYSA-N
XLogP5.55
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one (CID 11502854) is 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3Oc3ccccc3S4)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one?
The InChIKey is IAMQVMPIHMBYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4S/c27-19-15-23(26-11-13-28-14-12-26)30-24-16(5-3-7-18(19)24)17-6-4-10-22-25(17)29-20-8-1-2-9-21(20)31-22/h1-10,15H,11-14H2.
What are the key properties of 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one?
2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one has a molecular weight of 429.50 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-phenoxathiin-4-ylchromen-4-one is sourced from PubChem (CID 11502854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).