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

C21H18FNO2S — CID 123731582

IUPAC9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCCc1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c4sccc4c23)cc1F
InChIInChI=1S/C21H18FNO2S/c1-4-12-5-6-13(10-15(12)22)17-16(25-3)9-11(2)19-18(17)14-7-8-26-20(14)21(24)23-19/h5-10H,4H2,1-3H3,(H,23,24)
InChIKeyMACFBOWKZNUMIR-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.43
Rot. Bonds3

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

9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 123731582) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
PubChem CID123731582
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC Name9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCCc1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c4sccc4c23)cc1F
InChIInChI=1S/C21H18FNO2S/c1-4-12-5-6-13(10-15(12)22)17-16(25-3)9-11(2)19-18(17)14-7-8-26-20(14)21(24)23-19/h5-10H,4H2,1-3H3,(H,23,24)
InChIKeyMACFBOWKZNUMIR-UHFFFAOYSA-N
XLogP5.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67448808
9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67447177
2-[4-(6-chloro-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-2-fluorophenyl]ethylcarbamic acid
CID 67449678
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-(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
9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 118194110
9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448833
9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163858078
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

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 123731582) is 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is CCc1ccc(-c2c(OC)cc(C)c3[nH]c(=O)c4sccc4c23)cc1F.
What is the InChIKey of 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is MACFBOWKZNUMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-4-12-5-6-13(10-15(12)22)17-16(25-3)9-11(2)19-18(17)14-7-8-26-20(14)21(24)23-19/h5-10H,4H2,1-3H3,(H,23,24).
What are the key properties of 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 367.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 123731582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).