3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol

C20H15FN2OS — CID 156805010

IUPAC3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol
SMILESOc1ccc(F)c(Nc2ccnc3cc4c(C5CC5)csc4cc23)c1
InChIInChI=1S/C20H15FN2OS/c21-16-4-3-12(24)7-19(16)23-17-5-6-22-18-8-13-15(11-1-2-11)10-25-20(13)9-14(17)18/h3-11,24H,1-2H2,(H,22,23)
InChIKeyKPZRBEPZUQQYSD-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.92
Rot. Bonds3

About 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol

3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol (PubChem CID 156805010) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol.

Molecular Properties

Compound Name3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol
PubChem CID156805010
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol
SMILESOc1ccc(F)c(Nc2ccnc3cc4c(C5CC5)csc4cc23)c1
InChIInChI=1S/C20H15FN2OS/c21-16-4-3-12(24)7-19(16)23-17-5-6-22-18-8-13-15(11-1-2-11)10-25-20(13)9-14(17)18/h3-11,24H,1-2H2,(H,22,23)
InChIKeyKPZRBEPZUQQYSD-UHFFFAOYSA-N
XLogP5.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol?
The IUPAC name of 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol (CID 156805010) is 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol.
What is the SMILES notation for 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol?
The canonical SMILES for 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol is Oc1ccc(F)c(Nc2ccnc3cc4c(C5CC5)csc4cc23)c1.
What is the InChIKey of 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol?
The InChIKey is KPZRBEPZUQQYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/c21-16-4-3-12(24)7-19(16)23-17-5-6-22-18-8-13-15(11-1-2-11)10-25-20(13)9-14(17)18/h3-11,24H,1-2H2,(H,22,23).
What are the key properties of 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol?
3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol has a molecular weight of 350.42 g/mol, XLogP of 5.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylthieno[2,3-g]quinolin-8-yl)amino]-4-fluorophenol is sourced from PubChem (CID 156805010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).