5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine

C19H13FN4S — CID 156804996

IUPAC5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine
SMILESCc1cc2cc3nccc(-n4nc(N)c5cc(F)ccc54)c3cc2s1
InChIInChI=1S/C19H13FN4S/c1-10-6-11-7-15-13(9-18(11)25-10)17(4-5-22-15)24-16-3-2-12(20)8-14(16)19(21)23-24/h2-9H,1H3,(H2,21,23)
InChIKeyPXPJHAUODKJKLI-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.82
Rot. Bonds1

About 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine

5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine (PubChem CID 156804996) has the molecular formula C19H13FN4S and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine.

Molecular Properties

Compound Name5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine
PubChem CID156804996
Molecular FormulaC19H13FN4S
Molecular Weight348.41 g/mol
Exact Mass348.08
IUPAC Name5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine
SMILESCc1cc2cc3nccc(-n4nc(N)c5cc(F)ccc54)c3cc2s1
InChIInChI=1S/C19H13FN4S/c1-10-6-11-7-15-13(9-18(11)25-10)17(4-5-22-15)24-16-3-2-12(20)8-14(16)19(21)23-24/h2-9H,1H3,(H2,21,23)
InChIKeyPXPJHAUODKJKLI-UHFFFAOYSA-N
XLogP4.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine?
The IUPAC name of 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine (CID 156804996) is 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine.
What is the SMILES notation for 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine?
The canonical SMILES for 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine is Cc1cc2cc3nccc(-n4nc(N)c5cc(F)ccc54)c3cc2s1.
What is the InChIKey of 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine?
The InChIKey is PXPJHAUODKJKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4S/c1-10-6-11-7-15-13(9-18(11)25-10)17(4-5-22-15)24-16-3-2-12(20)8-14(16)19(21)23-24/h2-9H,1H3,(H2,21,23).
What are the key properties of 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine?
5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine has a molecular weight of 348.41 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylthieno[2,3-g]quinolin-8-yl)indazol-3-amine is sourced from PubChem (CID 156804996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).