1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine

C22H21FN2OS — CID 141424194

IUPAC1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
SMILESCOc1cc(F)c2ncc3sccc3c2c1-c1ccc(C(C)N(C)C)cc1
InChIInChI=1S/C22H21FN2OS/c1-13(25(2)3)14-5-7-15(8-6-14)20-18(26-4)11-17(23)22-21(20)16-9-10-27-19(16)12-24-22/h5-13H,1-4H3
InChIKeySQYFXRUNCVSUSE-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.89
Rot. Bonds4

About 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine

1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine (PubChem CID 141424194) has the molecular formula C22H21FN2OS and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
PubChem CID141424194
Molecular FormulaC22H21FN2OS
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC Name1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
SMILESCOc1cc(F)c2ncc3sccc3c2c1-c1ccc(C(C)N(C)C)cc1
InChIInChI=1S/C22H21FN2OS/c1-13(25(2)3)14-5-7-15(8-6-14)20-18(26-4)11-17(23)22-21(20)16-9-10-27-19(16)12-24-22/h5-13H,1-4H3
InChIKeySQYFXRUNCVSUSE-UHFFFAOYSA-N
XLogP5.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine with MolForge

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Related Compounds

6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
(2Z)-2-[(6-methoxy-1-methylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide
CID 155510810
US9211296, Table 7, Compd: 4
CID 44568846
2-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 44422482
10-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 1779948
11-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 3318667
9-Fluoro-4-methoxy-5-methyl[1]benzothieno[2,3-c]quinolin-5-ium
CID 4097776
6-(difluoromethoxy)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinoline-3-carbonitrile
CID 60567691
8-[4-[4-(5-Fluoro-1-benzothiophen-3-yl)cyclohexyl]piperazin-1-yl]-6-methoxyquinoline
CID 11179005
[4-[(3R)-3-fluoro-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-4-yl]methanol
CID 20796833
[4-[(3R)-3-fluoro-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]methanol
CID 20796865
[4-[3-Fluoro-3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-(3-thiophen-2-ylprop-2-ynyl)piperidin-4-yl]methanol
CID 22468504

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine (CID 141424194) is 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine is COc1cc(F)c2ncc3sccc3c2c1-c1ccc(C(C)N(C)C)cc1.
What is the InChIKey of 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The InChIKey is SQYFXRUNCVSUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2OS/c1-13(25(2)3)14-5-7-15(8-6-14)20-18(26-4)11-17(23)22-21(20)16-9-10-27-19(16)12-24-22/h5-13H,1-4H3.
What are the key properties of 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine has a molecular weight of 380.49 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 141424194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).