N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine

C23H23FN2OS — CID 141424276

IUPACN-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2c(OC)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C23H23FN2OS/c1-4-26(5-2)14-16-7-6-15(12-18(16)24)22-20(27-3)9-8-19-23(22)17-10-11-28-21(17)13-25-19/h6-13H,4-5,14H2,1-3H3
InChIKeyKZMNIMQVANUIOY-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.11
Rot. Bonds6

About N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine

N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine (PubChem CID 141424276) has the molecular formula C23H23FN2OS and a molecular weight of 394.52 g/mol. Its IUPAC name is N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine
PubChem CID141424276
Molecular FormulaC23H23FN2OS
Molecular Weight394.52 g/mol
Exact Mass394.15
IUPAC NameN-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2c(OC)ccc3ncc4sccc4c23)cc1F
InChIInChI=1S/C23H23FN2OS/c1-4-26(5-2)14-16-7-6-15(12-18(16)24)22-20(27-3)9-8-19-23(22)17-10-11-28-21(17)13-25-19/h6-13H,4-5,14H2,1-3H3
InChIKeyKZMNIMQVANUIOY-UHFFFAOYSA-N
XLogP6.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
7-Methoxy-3-(3-thienyl)isoquinoline
CID 44142278
(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
1-(4-Methoxyphenyl)-3-thiophen-2-ylbenzo[f][1,7]naphthyridine
CID 137652285
6-[3-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]propoxy]quinoline
CID 155803095
6-[4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy]quinoline
CID 155803099
7H-Indeno(2,1-c)quinoline, 2-methoxy-6-(2-thienyl)-
CID 3080468
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
7-Methoxy-5-methyl-benzothiopheno[3,2-b]quinolin-5-ium
CID 53319817

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine (CID 141424276) is N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(-c2c(OC)ccc3ncc4sccc4c23)cc1F.
What is the InChIKey of N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine?
The InChIKey is KZMNIMQVANUIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2OS/c1-4-26(5-2)14-16-7-6-15(12-18(16)24)22-20(27-3)9-8-19-23(22)17-10-11-28-21(17)13-25-19/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine?
N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine has a molecular weight of 394.52 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-fluoro-4-(8-methoxythieno[2,3-c]quinolin-9-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 141424276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).