1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine

C22H19FN2S2 — CID 42428742

IUPAC1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
SMILESCSc1ccc2cc(CNCc3ccc(F)cc3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H19FN2S2/c1-26-19-9-6-16-11-17(14-24-13-15-4-7-18(23)8-5-15)22(25-20(16)12-19)21-3-2-10-27-21/h2-12,24H,13-14H2,1H3
InChIKeyVWYPKKWUEFMLJH-UHFFFAOYSA-N
MW394.54 g/mol
LogP6.11
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine

1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine (PubChem CID 42428742) has the molecular formula C22H19FN2S2 and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
PubChem CID42428742
Molecular FormulaC22H19FN2S2
Molecular Weight394.54 g/mol
Exact Mass394.10
IUPAC Name1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
SMILESCSc1ccc2cc(CNCc3ccc(F)cc3)c(-c3cccs3)nc2c1
InChIInChI=1S/C22H19FN2S2/c1-26-19-9-6-16-11-17(14-24-13-15-4-7-18(23)8-5-15)22(25-20(16)12-19)21-3-2-10-27-21/h2-12,24H,13-14H2,1H3
InChIKeyVWYPKKWUEFMLJH-UHFFFAOYSA-N
XLogP6.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine with MolForge

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Related Compounds

1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine
CID 56856636
N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 118755608
2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide
CID 26356379
N-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 27654624
N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine
CID 42380537
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
CID 26336142
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61060963
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233196
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
N-[(2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 24969792

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine (CID 42428742) is 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine is CSc1ccc2cc(CNCc3ccc(F)cc3)c(-c3cccs3)nc2c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine?
The InChIKey is VWYPKKWUEFMLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2S2/c1-26-19-9-6-16-11-17(14-24-13-15-4-7-18(23)8-5-15)22(25-20(16)12-19)21-3-2-10-27-21/h2-12,24H,13-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine has a molecular weight of 394.54 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine is sourced from PubChem (CID 42428742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).