4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine

C21H23N3O2S — CID 118467828

IUPAC4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine
SMILESCOc1ccc(-c2c3c(nc4nc(N5CCOCC5)sc24)CCCC3)cc1
InChIInChI=1S/C21H23N3O2S/c1-25-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)22-20-19(18)27-21(23-20)24-10-12-26-13-11-24/h6-9H,2-5,10-13H2,1H3
InChIKeyJASDCGITDLALRW-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.08
Rot. Bonds3

About 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine

4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine (PubChem CID 118467828) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine
PubChem CID118467828
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine
SMILESCOc1ccc(-c2c3c(nc4nc(N5CCOCC5)sc24)CCCC3)cc1
InChIInChI=1S/C21H23N3O2S/c1-25-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)22-20-19(18)27-21(23-20)24-10-12-26-13-11-24/h6-9H,2-5,10-13H2,1H3
InChIKeyJASDCGITDLALRW-UHFFFAOYSA-N
XLogP4.08
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine?
The IUPAC name of 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine (CID 118467828) is 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine is COc1ccc(-c2c3c(nc4nc(N5CCOCC5)sc24)CCCC3)cc1.
What is the InChIKey of 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine?
The InChIKey is JASDCGITDLALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-25-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)22-20-19(18)27-21(23-20)24-10-12-26-13-11-24/h6-9H,2-5,10-13H2,1H3.
What are the key properties of 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine?
4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine has a molecular weight of 381.50 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinolin-2-yl]morpholine is sourced from PubChem (CID 118467828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).