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

C21H21ClFN3 — CID 57386614

IUPACN-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2ccc(F)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C21H21ClFN3/c1-26(2)12-11-24-21-14-18(9-5-15-3-7-17(23)8-4-15)25-20-10-6-16(22)13-19(20)21/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)/b9-5+
InChIKeyZARRNDYUHLJYAS-WEVVVXLNSA-N
MW369.87 g/mol
LogP5.17
Rot. Bonds6

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

N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 57386614) has the molecular formula C21H21ClFN3 and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID57386614
Molecular FormulaC21H21ClFN3
Molecular Weight369.87 g/mol
Exact Mass369.14
IUPAC NameN-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2ccc(F)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C21H21ClFN3/c1-26(2)12-11-24-21-14-18(9-5-15-3-7-17(23)8-4-15)25-20-10-6-16(22)13-19(20)21/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)/b9-5+
InChIKeyZARRNDYUHLJYAS-WEVVVXLNSA-N
XLogP5.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 57386614) is N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-chloro-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(Cl)cc12.
What is the InChIKey of N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is ZARRNDYUHLJYAS-WEVVVXLNSA-N. The full InChI is InChI=1S/C21H21ClFN3/c1-26(2)12-11-24-21-14-18(9-5-15-3-7-17(23)8-4-15)25-20-10-6-16(22)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-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 369.87 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 57386614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).