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

C21H20FN3OS — CID 58965036

IUPAC7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCCc4ccc(F)cc4)ccc3c2s1
InChIInChI=1S/C21H20FN3OS/c1-2-3-18-25-19-20(27-18)16-9-8-15(12-17(16)24-21(19)23)26-11-10-13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H2,23,24)
InChIKeyGKRUOUKNDYSFHI-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.14
Rot. Bonds6

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

7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 58965036) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID58965036
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC Name7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCCc4ccc(F)cc4)ccc3c2s1
InChIInChI=1S/C21H20FN3OS/c1-2-3-18-25-19-20(27-18)16-9-8-15(12-17(16)24-21(19)23)26-11-10-13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H2,23,24)
InChIKeyGKRUOUKNDYSFHI-UHFFFAOYSA-N
XLogP5.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]quinolin-4-amine?
The IUPAC name of 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 58965036) is 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3cc(OCCc4ccc(F)cc4)ccc3c2s1.
What is the InChIKey of 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is GKRUOUKNDYSFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-2-3-18-25-19-20(27-18)16-9-8-15(12-17(16)24-21(19)23)26-11-10-13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H2,23,24).
What are the key properties of 7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
7-[2-(4-fluorophenyl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]quinolin-4-amine is sourced from PubChem (CID 58965036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).