9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol

C21H18F2N2OS — CID 67449244

IUPAC9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
SMILESCC(c1ccc(-c2c(O)c(F)c(F)c3ncc4sccc4c23)cc1)N(C)C
InChIInChI=1S/C21H18F2N2OS/c1-11(25(2)3)12-4-6-13(7-5-12)16-17-14-8-9-27-15(14)10-24-20(17)18(22)19(23)21(16)26/h4-11,26H,1-3H3
InChIKeyUALDZTYAQOTFPN-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.72
Rot. Bonds3

About 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol

9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol (PubChem CID 67449244) has the molecular formula C21H18F2N2OS and a molecular weight of 384.45 g/mol. Its IUPAC name is 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
PubChem CID67449244
Molecular FormulaC21H18F2N2OS
Molecular Weight384.45 g/mol
Exact Mass384.11
IUPAC Name9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
SMILESCC(c1ccc(-c2c(O)c(F)c(F)c3ncc4sccc4c23)cc1)N(C)C
InChIInChI=1S/C21H18F2N2OS/c1-11(25(2)3)12-4-6-13(7-5-12)16-17-14-8-9-27-15(14)10-24-20(17)18(22)19(23)21(16)26/h4-11,26H,1-3H3
InChIKeyUALDZTYAQOTFPN-UHFFFAOYSA-N
XLogP5.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol (CID 67449244) is 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol is CC(c1ccc(-c2c(O)c(F)c(F)c3ncc4sccc4c23)cc1)N(C)C.
What is the InChIKey of 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol?
The InChIKey is UALDZTYAQOTFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2OS/c1-11(25(2)3)12-4-6-13(7-5-12)16-17-14-8-9-27-15(14)10-24-20(17)18(22)19(23)21(16)26/h4-11,26H,1-3H3.
What are the key properties of 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol?
9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol has a molecular weight of 384.45 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 67449244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).