5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine

C20H18ClN3 — CID 129029246

IUPAC5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
SMILESC=Cc1ccc2c(Cl)cc(-c3cnc(N(C)C)c(C=C)c3)nc2c1
InChIInChI=1S/C20H18ClN3/c1-5-13-7-8-16-17(21)11-18(23-19(16)9-13)15-10-14(6-2)20(22-12-15)24(3)4/h5-12H,1-2H2,3-4H3
InChIKeyGLWNUQZOODFAEK-UHFFFAOYSA-N
MW335.84 g/mol
LogP5.30
Rot. Bonds4

About 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine

5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine (PubChem CID 129029246) has the molecular formula C20H18ClN3 and a molecular weight of 335.84 g/mol. Its IUPAC name is 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
PubChem CID129029246
Molecular FormulaC20H18ClN3
Molecular Weight335.84 g/mol
Exact Mass335.12
IUPAC Name5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
SMILESC=Cc1ccc2c(Cl)cc(-c3cnc(N(C)C)c(C=C)c3)nc2c1
InChIInChI=1S/C20H18ClN3/c1-5-13-7-8-16-17(21)11-18(23-19(16)9-13)15-10-14(6-2)20(22-12-15)24(3)4/h5-12H,1-2H2,3-4H3
InChIKeyGLWNUQZOODFAEK-UHFFFAOYSA-N
XLogP5.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.84
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-ethenyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 129029224
4-(4-chloro-7-ethenylquinolin-2-yl)aniline
CID 145292607
4-chloro-2-(3,5-difluoro-4-methylphenyl)-7-ethenylquinoline
CID 145292580
4-chloro-7-ethenyl-2-(1H-pyrrol-3-yl)quinoline
CID 145292318
5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
CID 129259679
4-chloro-7-ethenyl-2-[4-(1-pyrrolidin-1-ylethyl)phenyl]quinoline
CID 145292266
4-chloro-2-cyclopropyl-7-ethenylquinoline
CID 129029227
1-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-1-methylhydrazine
CID 145292511
N-[1-[4-(4-chloro-7-ethenylquinolin-2-yl)-2-fluorophenyl]ethenyl]cyclopropanamine
CID 129029252
N-[(1E)-2-(4-chloro-7-ethenylquinolin-2-yl)buta-1,3-dienyl]-N-methylcyclopentanamine
CID 129028952
2-[4-(4-chloro-7-ethenylquinolin-2-yl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine;1-methyl-4-pent-1-en-2-ylpiperazine
CID 145292872
4-chloro-2-(4-fluorophenyl)quinoline-7-carbaldehyde;methane
CID 166488562

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine (CID 129029246) is 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine is C=Cc1ccc2c(Cl)cc(-c3cnc(N(C)C)c(C=C)c3)nc2c1.
What is the InChIKey of 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine?
The InChIKey is GLWNUQZOODFAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3/c1-5-13-7-8-16-17(21)11-18(23-19(16)9-13)15-10-14(6-2)20(22-12-15)24(3)4/h5-12H,1-2H2,3-4H3.
What are the key properties of 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine?
5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine has a molecular weight of 335.84 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-7-ethenylquinolin-2-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 129029246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).