6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline

C18H14ClNO — CID 71329713

IUPAC6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
SMILESCOc1ccc(C=Cc2ccc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C18H14ClNO/c1-21-17-9-3-13(4-10-17)2-7-16-8-5-14-12-15(19)6-11-18(14)20-16/h2-12H,1H3
InChIKeyPGZGWIVNKIVQOA-UHFFFAOYSA-N
MW295.77 g/mol
LogP5.07
Rot. Bonds3

About 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline

6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline (PubChem CID 71329713) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
PubChem CID71329713
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
SMILESCOc1ccc(C=Cc2ccc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C18H14ClNO/c1-21-17-9-3-13(4-10-17)2-7-16-8-5-14-12-15(19)6-11-18(14)20-16/h2-12H,1H3
InChIKeyPGZGWIVNKIVQOA-UHFFFAOYSA-N
XLogP5.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline?
The IUPAC name of 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline (CID 71329713) is 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline is COc1ccc(C=Cc2ccc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline?
The InChIKey is PGZGWIVNKIVQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-21-17-9-3-13(4-10-17)2-7-16-8-5-14-12-15(19)6-11-18(14)20-16/h2-12H,1H3.
What are the key properties of 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline?
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline has a molecular weight of 295.77 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 71329713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).