4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine

C24H24N2O3S — CID 164614961

IUPAC4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine
SMILESCOc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(OC)n3)c1S2
InChIInChI=1S/C24H24N2O3S/c1-27-19-6-7-22-17(13-19)12-16-4-3-5-20(24(16)30-22)21-14-18(15-23(25-21)28-2)26-8-10-29-11-9-26/h3-7,13-15H,8-12H2,1-2H3
InChIKeyOPTRIGBUFHQQNF-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.66
Rot. Bonds4

About 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine

4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine (PubChem CID 164614961) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine
PubChem CID164614961
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine
SMILESCOc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(OC)n3)c1S2
InChIInChI=1S/C24H24N2O3S/c1-27-19-6-7-22-17(13-19)12-16-4-3-5-20(24(16)30-22)21-14-18(15-23(25-21)28-2)26-8-10-29-11-9-26/h3-7,13-15H,8-12H2,1-2H3
InChIKeyOPTRIGBUFHQQNF-UHFFFAOYSA-N
XLogP4.66
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine?
The IUPAC name of 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine (CID 164614961) is 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine?
The canonical SMILES for 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine is COc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(OC)n3)c1S2.
What is the InChIKey of 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine?
The InChIKey is OPTRIGBUFHQQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-27-19-6-7-22-17(13-19)12-16-4-3-5-20(24(16)30-22)21-14-18(15-23(25-21)28-2)26-8-10-29-11-9-26/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine?
4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine has a molecular weight of 420.53 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-6-(7-methoxy-9H-thioxanthen-4-yl)-4-pyridinyl]morpholine is sourced from PubChem (CID 164614961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).