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

C20H17FN2OS — CID 67393000

IUPAC7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline
SMILESCCCc1nc2cnc3cc(OCc4ccc(F)cc4)ccc3c2s1
InChIInChI=1S/C20H17FN2OS/c1-2-3-19-23-18-11-22-17-10-15(8-9-16(17)20(18)25-19)24-12-13-4-6-14(21)7-5-13/h4-11H,2-3,12H2,1H3
InChIKeyKBGJGXLXEIZUAP-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.52
Rot. Bonds5

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

7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline (PubChem CID 67393000) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline
PubChem CID67393000
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline
SMILESCCCc1nc2cnc3cc(OCc4ccc(F)cc4)ccc3c2s1
InChIInChI=1S/C20H17FN2OS/c1-2-3-19-23-18-11-22-17-10-15(8-9-16(17)20(18)25-19)24-12-13-4-6-14(21)7-5-13/h4-11H,2-3,12H2,1H3
InChIKeyKBGJGXLXEIZUAP-UHFFFAOYSA-N
XLogP5.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline (CID 67393000) is 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline is CCCc1nc2cnc3cc(OCc4ccc(F)cc4)ccc3c2s1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
The InChIKey is KBGJGXLXEIZUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-2-3-19-23-18-11-22-17-10-15(8-9-16(17)20(18)25-19)24-12-13-4-6-14(21)7-5-13/h4-11H,2-3,12H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline?
7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline has a molecular weight of 352.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinoline is sourced from PubChem (CID 67393000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).