4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol

C21H20FN3OS — CID 123817761

IUPAC4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
SMILESCNCCc1ccc(-c2c(O)cc(C)c3nc(N)c4sccc4c23)cc1F
InChIInChI=1S/C21H20FN3OS/c1-11-9-16(26)17(13-4-3-12(5-7-24-2)15(22)10-13)18-14-6-8-27-20(14)21(23)25-19(11)18/h3-4,6,8-10,24,26H,5,7H2,1-2H3,(H2,23,25)
InChIKeyNUGFEUTVVRXKRI-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.61
Rot. Bonds4

About 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol

4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol (PubChem CID 123817761) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
PubChem CID123817761
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC Name4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
SMILESCNCCc1ccc(-c2c(O)cc(C)c3nc(N)c4sccc4c23)cc1F
InChIInChI=1S/C21H20FN3OS/c1-11-9-16(26)17(13-4-3-12(5-7-24-2)15(22)10-13)18-14-6-8-27-20(14)21(23)25-19(11)18/h3-4,6,8-10,24,26H,5,7H2,1-2H3,(H2,23,25)
InChIKeyNUGFEUTVVRXKRI-UHFFFAOYSA-N
XLogP4.61
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The IUPAC name of 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol (CID 123817761) is 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol is CNCCc1ccc(-c2c(O)cc(C)c3nc(N)c4sccc4c23)cc1F.
What is the InChIKey of 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
The InChIKey is NUGFEUTVVRXKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-11-9-16(26)17(13-4-3-12(5-7-24-2)15(22)10-13)18-14-6-8-27-20(14)21(23)25-19(11)18/h3-4,6,8-10,24,26H,5,7H2,1-2H3,(H2,23,25).
What are the key properties of 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol?
4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol has a molecular weight of 381.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 123817761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).