9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

C21H19FN2O2S — CID 67448808

IUPAC9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1
InChIInChI=1S/C21H19FN2O2S/c1-11-9-16(26-2)17(13-4-3-12(5-7-23)15(22)10-13)18-14-6-8-27-20(14)21(25)24-19(11)18/h3-4,6,8-10H,5,7,23H2,1-2H3,(H,24,25)
InChIKeyBTAJIQAIKJOVJN-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.37
Rot. Bonds4

About 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67448808) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67448808
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC Name9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1
InChIInChI=1S/C21H19FN2O2S/c1-11-9-16(26-2)17(13-4-3-12(5-7-23)15(22)10-13)18-14-6-8-27-20(14)21(25)24-19(11)18/h3-4,6,8-10H,5,7,23H2,1-2H3,(H,24,25)
InChIKeyBTAJIQAIKJOVJN-UHFFFAOYSA-N
XLogP4.37
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 123731582
2-[4-(6-chloro-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-2-fluorophenyl]ethylcarbamic acid
CID 67449678
9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67447177
9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449966
9-[4-[3-(aminomethyl)pentan-3-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67449680
tert-butyl N-[(2R)-2-[2-fluoro-4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67448685
9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 118194110
9-[4-[1-(dimethylamino)-3-methylbutan-2-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67452462
9-[4-[4-(dimethylamino)butan-2-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67450415
tert-butyl N-fluoro-N-[2-[4-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethyl]carbamate
CID 87404568
9-[3-fluoro-4-[1-(methylamino)propan-2-yl]phenyl]-8-(hydroxymethyl)-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 159562907
9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448833

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 67448808) is 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1.
What is the InChIKey of 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is BTAJIQAIKJOVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-11-9-16(26-2)17(13-4-3-12(5-7-23)15(22)10-13)18-14-6-8-27-20(14)21(25)24-19(11)18/h3-4,6,8-10H,5,7,23H2,1-2H3,(H,24,25).
What are the key properties of 9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 382.46 g/mol, XLogP of 4.37, 4 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-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67448808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).