4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline

C16H12ClNOS — CID 6260245

IUPAC4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline
SMILESCOc1ccc2nc(/C=C/c3ccsc3)cc(Cl)c2c1
InChIInChI=1S/C16H12ClNOS/c1-19-13-4-5-16-14(9-13)15(17)8-12(18-16)3-2-11-6-7-20-10-11/h2-10H,1H3/b3-2+
InChIKeyZAXCUORWSTZRSX-NSCUHMNNSA-N
MW301.80 g/mol
LogP5.13
Rot. Bonds3

About 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline

4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline (PubChem CID 6260245) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline
PubChem CID6260245
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline
SMILESCOc1ccc2nc(/C=C/c3ccsc3)cc(Cl)c2c1
InChIInChI=1S/C16H12ClNOS/c1-19-13-4-5-16-14(9-13)15(17)8-12(18-16)3-2-11-6-7-20-10-11/h2-10H,1H3/b3-2+
InChIKeyZAXCUORWSTZRSX-NSCUHMNNSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline?
The IUPAC name of 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline (CID 6260245) is 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline.
What is the SMILES notation for 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline?
The canonical SMILES for 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline is COc1ccc2nc(/C=C/c3ccsc3)cc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline?
The InChIKey is ZAXCUORWSTZRSX-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-19-13-4-5-16-14(9-13)15(17)8-12(18-16)3-2-11-6-7-20-10-11/h2-10H,1H3/b3-2+.
What are the key properties of 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline?
4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline has a molecular weight of 301.80 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-[(E)-2-thiophen-3-ylethenyl]quinoline is sourced from PubChem (CID 6260245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).