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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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).