9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol

C18H13FN2OS — CID 123680579

IUPAC9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol
SMILESNCc1ccc(-c2c(O)cc(F)c3ncc4sccc4c23)cc1
InChIInChI=1S/C18H13FN2OS/c19-13-7-14(22)16(11-3-1-10(8-20)2-4-11)17-12-5-6-23-15(12)9-21-18(13)17/h1-7,9,22H,8,20H2
InChIKeyIGMQYGFMIVBKKS-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.42
Rot. Bonds2

About 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol

9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol (PubChem CID 123680579) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol.

Molecular Properties

Compound Name9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol
PubChem CID123680579
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol
SMILESNCc1ccc(-c2c(O)cc(F)c3ncc4sccc4c23)cc1
InChIInChI=1S/C18H13FN2OS/c19-13-7-14(22)16(11-3-1-10(8-20)2-4-11)17-12-5-6-23-15(12)9-21-18(13)17/h1-7,9,22H,8,20H2
InChIKeyIGMQYGFMIVBKKS-UHFFFAOYSA-N
XLogP4.42
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiophen-3-yl-3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-6-ol
CID 59804022
9-[4-[1-(Dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
CID 67449244
9-[4-[2-(Dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinolin-8-ol
CID 67449245
9-[4-(2-Aminoethyl)-3-fluorophenyl]-8-hydroxythieno[2,3-c]quinolin
CID 86689556
2-[2-Fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]propan-1-amine
CID 89675846
2-[2-Fluoro-4-(8-methoxy-6-methylthieno[2,3-c]quinolin-9-yl)phenyl]ethanamine
CID 89676082
9-[4-[1-(Dimethylamino)ethyl]phenyl]-6,7-difluorothieno[2,3-c]quinoline-1,8-diol
CID 123194939
4-Amino-9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-6-methylthieno[2,3-c]quinolin-8-ol
CID 123817761
4-(8-hydroxy-4-methylthieno[2,3-c]quinolin-9-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 123831196
9-{3-Fluor-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl}-8-hydroxythieno[2,3-c]quinolin
CID 131743028
2-(3-Fluoro-4-hydroxyphenyl)-4-thiazol-2-yl-quinolin-6-ol
CID 135489129
9-[4-(2-Aminoethyl)-3,5-difluorophenyl]thieno[2,3-c]quinolin-8-ol
CID 141424062

Frequently Asked Questions

What is the IUPAC name of 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol?
The IUPAC name of 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol (CID 123680579) is 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol.
What is the SMILES notation for 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol?
The canonical SMILES for 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol is NCc1ccc(-c2c(O)cc(F)c3ncc4sccc4c23)cc1.
What is the InChIKey of 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol?
The InChIKey is IGMQYGFMIVBKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-13-7-14(22)16(11-3-1-10(8-20)2-4-11)17-12-5-6-23-15(12)9-21-18(13)17/h1-7,9,22H,8,20H2.
What are the key properties of 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol?
9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol has a molecular weight of 324.38 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(aminomethyl)phenyl]-6-fluorothieno[2,3-c]quinolin-8-ol is sourced from PubChem (CID 123680579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).