7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline

C18H14ClN — CID 73429919

IUPAC7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
SMILESCc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C18H14ClN/c1-13-3-2-4-14(11-13)5-9-17-10-7-15-6-8-16(19)12-18(15)20-17/h2-12H,1H3
InChIKeyBOYHKKFZNDWLTK-UHFFFAOYSA-N
MW279.77 g/mol
LogP5.37
Rot. Bonds2

About 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline

7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline (PubChem CID 73429919) has the molecular formula C18H14ClN and a molecular weight of 279.77 g/mol. Its IUPAC name is 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
PubChem CID73429919
Molecular FormulaC18H14ClN
Molecular Weight279.77 g/mol
Exact Mass279.08
IUPAC Name7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
SMILESCc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C18H14ClN/c1-13-3-2-4-14(11-13)5-9-17-10-7-15-6-8-16(19)12-18(15)20-17/h2-12H,1H3
InChIKeyBOYHKKFZNDWLTK-UHFFFAOYSA-N
XLogP5.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.77
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline?
The IUPAC name of 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline (CID 73429919) is 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline.
What is the SMILES notation for 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline?
The canonical SMILES for 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline is Cc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline?
The InChIKey is BOYHKKFZNDWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN/c1-13-3-2-4-14(11-13)5-9-17-10-7-15-6-8-16(19)12-18(15)20-17/h2-12H,1H3.
What are the key properties of 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline?
7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline has a molecular weight of 279.77 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline is sourced from PubChem (CID 73429919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).