9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol

C19H14F2N2OS — CID 141424062

IUPAC9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESNCCc1c(F)cc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C19H14F2N2OS/c20-13-7-10(8-14(21)11(13)3-5-22)18-16(24)2-1-15-19(18)12-4-6-25-17(12)9-23-15/h1-2,4,6-9,24H,3,5,22H2
InChIKeyNTLWIWDOIOWBFP-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.60
Rot. Bonds3

About 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol

9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol (PubChem CID 141424062) has the molecular formula C19H14F2N2OS and a molecular weight of 356.40 g/mol. Its IUPAC name is 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol
PubChem CID141424062
Molecular FormulaC19H14F2N2OS
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol
SMILESNCCc1c(F)cc(-c2c(O)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C19H14F2N2OS/c20-13-7-10(8-14(21)11(13)3-5-22)18-16(24)2-1-15-19(18)12-4-6-25-17(12)9-23-15/h1-2,4,6-9,24H,3,5,22H2
InChIKeyNTLWIWDOIOWBFP-UHFFFAOYSA-N
XLogP4.60
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol (CID 141424062) is 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol is NCCc1c(F)cc(-c2c(O)ccc3ncc4sccc4c23)cc1F.
What is the InChIKey of 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol?
The InChIKey is NTLWIWDOIOWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2OS/c20-13-7-10(8-14(21)11(13)3-5-22)18-16(24)2-1-15-19(18)12-4-6-25-17(12)9-23-15/h1-2,4,6-9,24H,3,5,22H2.
What are the key properties of 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol?
9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol has a molecular weight of 356.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 141424062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).