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

C21H19ClN2O2S — CID 71244953

IUPAC6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCNCCc1ccc(-c2c(OC)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C21H19ClN2O2S/c1-23-9-7-12-3-5-13(6-4-12)17-16(26-2)11-15(22)19-18(17)14-8-10-27-20(14)21(25)24-19/h3-6,8,10-11,23H,7,9H2,1-2H3,(H,24,25)
InChIKeyKKJJJKJXPGVUNZ-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.83
Rot. Bonds5

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

6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 71244953) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
PubChem CID71244953
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCNCCc1ccc(-c2c(OC)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C21H19ClN2O2S/c1-23-9-7-12-3-5-13(6-4-12)17-16(26-2)11-15(22)19-18(17)14-8-10-27-20(14)21(25)24-19/h3-6,8,10-11,23H,7,9H2,1-2H3,(H,24,25)
InChIKeyKKJJJKJXPGVUNZ-UHFFFAOYSA-N
XLogP4.83
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one with MolForge

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Related Compounds

6-bromo-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 71244988
2-[4-(6-chloro-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-2-fluorophenyl]ethylcarbamic acid
CID 67449678
tert-butyl N-[2-[4-(6-chloro-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]carbamate
CID 67450206
9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163858078
9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448833
9-[4-[2-(cyclopentylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67446791
9-[4-[2-(dimethylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448089
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-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689535
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-(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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one (CID 71244953) is 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one is CNCCc1ccc(-c2c(OC)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is KKJJJKJXPGVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-23-9-7-12-3-5-13(6-4-12)17-16(26-2)11-15(22)19-18(17)14-8-10-27-20(14)21(25)24-19/h3-6,8,10-11,23H,7,9H2,1-2H3,(H,24,25).
What are the key properties of 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one?
6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 398.92 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 71244953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).