7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline

C21H19FN2OS — CID 67392933

IUPAC7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline
SMILESCCCc1nc2cnc3cc(OCCc4ccc(F)cc4)ccc3c2s1
InChIInChI=1S/C21H19FN2OS/c1-2-3-20-24-19-13-23-18-12-16(8-9-17(18)21(19)26-20)25-11-10-14-4-6-15(22)7-5-14/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyWKWOLPLIPOFETP-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.56
Rot. Bonds6

About 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline

7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline (PubChem CID 67392933) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline.

Molecular Properties

Compound Name7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline
PubChem CID67392933
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC Name7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline
SMILESCCCc1nc2cnc3cc(OCCc4ccc(F)cc4)ccc3c2s1
InChIInChI=1S/C21H19FN2OS/c1-2-3-20-24-19-13-23-18-12-16(8-9-17(18)21(19)26-20)25-11-10-14-4-6-15(22)7-5-14/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyWKWOLPLIPOFETP-UHFFFAOYSA-N
XLogP5.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The IUPAC name of 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline (CID 67392933) is 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline.
What is the SMILES notation for 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The canonical SMILES for 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline is CCCc1nc2cnc3cc(OCCc4ccc(F)cc4)ccc3c2s1.
What is the InChIKey of 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The InChIKey is WKWOLPLIPOFETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-2-3-20-24-19-13-23-18-12-16(8-9-17(18)21(19)26-20)25-11-10-14-4-6-15(22)7-5-14/h4-9,12-13H,2-3,10-11H2,1H3.
What are the key properties of 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline has a molecular weight of 366.46 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline is sourced from PubChem (CID 67392933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).