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

C21H21F2N3 — CID 57386612

IUPACN-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2ccc(F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C21H21F2N3/c1-26(2)12-11-24-21-14-18(9-5-15-3-6-16(22)7-4-15)25-20-10-8-17(23)13-19(20)21/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)/b9-5+
InChIKeyFWFHRAXMEDXAFM-WEVVVXLNSA-N
MW353.42 g/mol
LogP4.66
Rot. Bonds6

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

N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 57386612) has the molecular formula C21H21F2N3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID57386612
Molecular FormulaC21H21F2N3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2ccc(F)cc2)nc2ccc(F)cc12
InChIInChI=1S/C21H21F2N3/c1-26(2)12-11-24-21-14-18(9-5-15-3-6-16(22)7-4-15)25-20-10-8-17(23)13-19(20)21/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)/b9-5+
InChIKeyFWFHRAXMEDXAFM-WEVVVXLNSA-N
XLogP4.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 57386612) is N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(/C=C/c2ccc(F)cc2)nc2ccc(F)cc12.
What is the InChIKey of N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FWFHRAXMEDXAFM-WEVVVXLNSA-N. The full InChI is InChI=1S/C21H21F2N3/c1-26(2)12-11-24-21-14-18(9-5-15-3-6-16(22)7-4-15)25-20-10-8-17(23)13-19(20)21/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)/b9-5+.
What are the key properties of N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 353.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 57386612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).