4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine

C21H23Cl2N3O2S — CID 58289573

IUPAC4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine
SMILESCC(C)c1nc(-c2cc(Cl)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)cs1
InChIInChI=1S/C21H23Cl2N3O2S/c1-13(2)21-25-17(12-29-21)16-11-15(22)14-3-4-18(19(23)20(14)24-16)28-10-7-26-5-8-27-9-6-26/h3-4,11-13H,5-10H2,1-2H3
InChIKeyCOKJDHDJQFHRQA-UHFFFAOYSA-N
MW452.41 g/mol
LogP5.50
Rot. Bonds6

About 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine

4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine (PubChem CID 58289573) has the molecular formula C21H23Cl2N3O2S and a molecular weight of 452.41 g/mol. Its IUPAC name is 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine
PubChem CID58289573
Molecular FormulaC21H23Cl2N3O2S
Molecular Weight452.41 g/mol
Exact Mass451.09
IUPAC Name4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine
SMILESCC(C)c1nc(-c2cc(Cl)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)cs1
InChIInChI=1S/C21H23Cl2N3O2S/c1-13(2)21-25-17(12-29-21)16-11-15(22)14-3-4-18(19(23)20(14)24-16)28-10-7-26-5-8-27-9-6-26/h3-4,11-13H,5-10H2,1-2H3
InChIKeyCOKJDHDJQFHRQA-UHFFFAOYSA-N
XLogP5.50
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine (CID 58289573) is 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine is CC(C)c1nc(-c2cc(Cl)c3ccc(OCCN4CCOCC4)c(Cl)c3n2)cs1.
What is the InChIKey of 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine?
The InChIKey is COKJDHDJQFHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2S/c1-13(2)21-25-17(12-29-21)16-11-15(22)14-3-4-18(19(23)20(14)24-16)28-10-7-26-5-8-27-9-6-26/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine?
4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine has a molecular weight of 452.41 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4,8-dichloro-2-(2-propan-2-yl-1,3-thiazol-4-yl)quinolin-7-yl]oxyethyl]morpholine is sourced from PubChem (CID 58289573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).