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

C19H20ClN3S — CID 141327077

IUPACN-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2cccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H20ClN3S/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+
InChIKeyJWJUWXDBKYUBLN-VOTSOKGWSA-N
MW357.91 g/mol
LogP5.09
Rot. Bonds6

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

N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 141327077) has the molecular formula C19H20ClN3S and a molecular weight of 357.91 g/mol. Its IUPAC name is N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID141327077
Molecular FormulaC19H20ClN3S
Molecular Weight357.91 g/mol
Exact Mass357.11
IUPAC NameN-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2cccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H20ClN3S/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+
InChIKeyJWJUWXDBKYUBLN-VOTSOKGWSA-N
XLogP5.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.91
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline
CID 453076
1-chloro-N-(thien-2-ylmethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 11759669
7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-2-thienyl]methyl]quinolin-4-amine
CID 71454606
1,2-Ethanediamine, N,N-dimethyl-N'-(2-(2-thienyl)-4-quinolinyl)-
CID 453074
6-chloro-1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4305260
N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 11749138
N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 57386614
N-[6-fluoro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 141327060
7-chloro-N-[3-[4-[3-(thiophen-3-ylmethylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 10950564
N-[3-[4-[3-[bis(thiophen-3-ylmethyl)amino]propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 10951799
N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 11846958

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 141327077) is N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(/C=C/c2cccs2)nc2ccc(Cl)cc12.
What is the InChIKey of N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JWJUWXDBKYUBLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H20ClN3S/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-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 357.91 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 141327077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).