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

C18H17N3O2S — CID 58965030

IUPAC7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCc4ccoc4)ccc3c2s1
InChIInChI=1S/C18H17N3O2S/c1-2-3-15-21-16-17(24-15)13-5-4-12(8-14(13)20-18(16)19)23-10-11-6-7-22-9-11/h4-9H,2-3,10H2,1H3,(H2,19,20)
InChIKeyJLRJWXFJMPUIIK-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.55
Rot. Bonds5

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

7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 58965030) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID58965030
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCc4ccoc4)ccc3c2s1
InChIInChI=1S/C18H17N3O2S/c1-2-3-15-21-16-17(24-15)13-5-4-12(8-14(13)20-18(16)19)23-10-11-6-7-22-9-11/h4-9H,2-3,10H2,1H3,(H2,19,20)
InChIKeyJLRJWXFJMPUIIK-UHFFFAOYSA-N
XLogP4.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 58965030) is 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3cc(OCc4ccoc4)ccc3c2s1.
What is the InChIKey of 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is JLRJWXFJMPUIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-3-15-21-16-17(24-15)13-5-4-12(8-14(13)20-18(16)19)23-10-11-6-7-22-9-11/h4-9H,2-3,10H2,1H3,(H2,19,20).
What are the key properties of 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 339.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-ylmethoxy)-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58965030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).