8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one

C20H18N2O2S — CID 67447322

IUPAC8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCNCc1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C20H18N2O2S/c1-21-11-12-3-5-13(6-4-12)17-16(24-2)8-7-15-18(17)14-9-10-25-19(14)20(23)22-15/h3-10,21H,11H2,1-2H3,(H,22,23)
InChIKeyWISBHINJSCDTRW-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.14
Rot. Bonds4

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

8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447322) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447322
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCNCc1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C20H18N2O2S/c1-21-11-12-3-5-13(6-4-12)17-16(24-2)8-7-15-18(17)14-9-10-25-19(14)20(23)22-15/h3-10,21H,11H2,1-2H3,(H,22,23)
InChIKeyWISBHINJSCDTRW-UHFFFAOYSA-N
XLogP4.14
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ots964
CID 67448186
N-(2-(4-(7-Methoxy-1-naphthalenyl)-1-piperazinyl)ethyl)-2-thiophenecarboxamide
CID 131907
(R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 67448836
(R)-9-(4-(1-Aminoethyl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 68229183
OTS514 hydrochloride
CID 92044487
10-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 1779937
2-Methoxy-N-[1-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzamide
CID 7498683
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
CID 16008956
N-(4-ethoxyphenyl)-9-methyl-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010420
N-[2-(aminocarbonyl)phenyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010448
N-(3-acetylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010472
2,3-Dimethoxy-N-[1-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzamide
CID 16028091

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one (CID 67447322) is 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one is CNCc1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is WISBHINJSCDTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-21-11-12-3-5-13(6-4-12)17-16(24-2)8-7-15-18(17)14-9-10-25-19(14)20(23)22-15/h3-10,21H,11H2,1-2H3,(H,22,23).
What are the key properties of 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 350.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-[4-(methylaminomethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).