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

C22H21FN2OS — CID 141424118

IUPAC2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
SMILESCOc1cc(F)c2ncc3sccc3c2c1-c1ccc(CCN(C)C)cc1
InChIInChI=1S/C22H21FN2OS/c1-25(2)10-8-14-4-6-15(7-5-14)20-18(26-3)12-17(23)22-21(20)16-9-11-27-19(16)13-24-22/h4-7,9,11-13H,8,10H2,1-3H3
InChIKeyBBORBAVMQOXPNN-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.37
Rot. Bonds5

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

2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine (PubChem CID 141424118) has the molecular formula C22H21FN2OS and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
PubChem CID141424118
Molecular FormulaC22H21FN2OS
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC Name2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine
SMILESCOc1cc(F)c2ncc3sccc3c2c1-c1ccc(CCN(C)C)cc1
InChIInChI=1S/C22H21FN2OS/c1-25(2)10-8-14-4-6-15(7-5-14)20-18(26-3)12-17(23)22-21(20)16-9-11-27-19(16)13-24-22/h4-7,9,11-13H,8,10H2,1-3H3
InChIKeyBBORBAVMQOXPNN-UHFFFAOYSA-N
XLogP5.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[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
4-(4-Fluorophenyl)-6,7-dimethoxy-3-thiophen-3-ylisoquinoline
CID 44142554
3-(3-Methoxy-1-benzothiophen-2-yl)quinoline
CID 11312364
2-Methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 44422481
2-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 44422482
2-(8-Methoxy-5-methylphenanthridin-5-ium-2-yl)-1,3-benzothiazole chloride
CID 164618723
6-(Trifluoromethoxy)-8-[4-[6-(trifluoromethoxy)quinolin-8-yl]thiophen-3-yl]quinoline
CID 60209069
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine (CID 141424118) is 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine is COc1cc(F)c2ncc3sccc3c2c1-c1ccc(CCN(C)C)cc1.
What is the InChIKey of 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
The InChIKey is BBORBAVMQOXPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2OS/c1-25(2)10-8-14-4-6-15(7-5-14)20-18(26-3)12-17(23)22-21(20)16-9-11-27-19(16)13-24-22/h4-7,9,11-13H,8,10H2,1-3H3.
What are the key properties of 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine?
2-[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 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 141424118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).