7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline

C14H10ClN3S — CID 146482676

IUPAC7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline
SMILESC=C(Sc1ccnc2cc(Cl)ccc12)c1ncc[nH]1
InChIInChI=1S/C14H10ClN3S/c1-9(14-17-6-7-18-14)19-13-4-5-16-12-8-10(15)2-3-11(12)13/h2-8H,1H2,(H,17,18)
InChIKeyRNODEOUQEQSOIT-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.37
Rot. Bonds3

About 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline

7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline (PubChem CID 146482676) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline
PubChem CID146482676
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline
SMILESC=C(Sc1ccnc2cc(Cl)ccc12)c1ncc[nH]1
InChIInChI=1S/C14H10ClN3S/c1-9(14-17-6-7-18-14)19-13-4-5-16-12-8-10(15)2-3-11(12)13/h2-8H,1H2,(H,17,18)
InChIKeyRNODEOUQEQSOIT-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(7-chloroquinolin-4-yl)sulfanylmethyl]-4-methyl-1H-1,2,4-triazole-5-thione
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline?
The IUPAC name of 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline (CID 146482676) is 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline.
What is the SMILES notation for 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline?
The canonical SMILES for 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline is C=C(Sc1ccnc2cc(Cl)ccc12)c1ncc[nH]1.
What is the InChIKey of 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline?
The InChIKey is RNODEOUQEQSOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c1-9(14-17-6-7-18-14)19-13-4-5-16-12-8-10(15)2-3-11(12)13/h2-8H,1H2,(H,17,18).
What are the key properties of 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline?
7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline has a molecular weight of 287.78 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[1-(1H-imidazol-2-yl)ethenylsulfanyl]quinoline is sourced from PubChem (CID 146482676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).