N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C19H20FN3S — CID 141327060

IUPACN-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2cccs2)nc2ccc(F)cc12
InChIInChI=1S/C19H20FN3S/c1-23(2)10-9-21-19-13-15(6-7-16-4-3-11-24-16)22-18-8-5-14(20)12-17(18)19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22)/b7-6+
InChIKeyVAXUZTDIGKCLNZ-VOTSOKGWSA-N
MW341.46 g/mol
LogP4.58
Rot. Bonds6

About N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 141327060) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID141327060
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC NameN-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2cccs2)nc2ccc(F)cc12
InChIInChI=1S/C19H20FN3S/c1-23(2)10-9-21-19-13-15(6-7-16-4-3-11-24-16)22-18-8-5-14(20)12-17(18)19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22)/b7-6+
InChIKeyVAXUZTDIGKCLNZ-VOTSOKGWSA-N
XLogP4.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 141327060) is N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(/C=C/c2cccs2)nc2ccc(F)cc12.
What is the InChIKey of N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is VAXUZTDIGKCLNZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H20FN3S/c1-23(2)10-9-21-19-13-15(6-7-16-4-3-11-24-16)22-18-8-5-14(20)12-17(18)19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22)/b7-6+.
What are the key properties of N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 341.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 141327060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).