7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline

C15H10ClNS — CID 18149996

IUPAC7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline
SMILESClc1ccc2ccc(/C=C/c3cccs3)nc2c1
InChIInChI=1S/C15H10ClNS/c16-12-5-3-11-4-6-13(17-15(11)10-12)7-8-14-2-1-9-18-14/h1-10H/b8-7+
InChIKeyOCQYSSOPYRDOEW-BQYQJAHWSA-N
MW271.77 g/mol
LogP5.12
Rot. Bonds2

About 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline

7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline (PubChem CID 18149996) has the molecular formula C15H10ClNS and a molecular weight of 271.77 g/mol. Its IUPAC name is 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline
PubChem CID18149996
Molecular FormulaC15H10ClNS
Molecular Weight271.77 g/mol
Exact Mass271.02
IUPAC Name7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline
SMILESClc1ccc2ccc(/C=C/c3cccs3)nc2c1
InChIInChI=1S/C15H10ClNS/c16-12-5-3-11-4-6-13(17-15(11)10-12)7-8-14-2-1-9-18-14/h1-10H/b8-7+
InChIKeyOCQYSSOPYRDOEW-BQYQJAHWSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.77
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline?
The IUPAC name of 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline (CID 18149996) is 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline.
What is the SMILES notation for 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline?
The canonical SMILES for 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline is Clc1ccc2ccc(/C=C/c3cccs3)nc2c1.
What is the InChIKey of 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline?
The InChIKey is OCQYSSOPYRDOEW-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H10ClNS/c16-12-5-3-11-4-6-13(17-15(11)10-12)7-8-14-2-1-9-18-14/h1-10H/b8-7+.
What are the key properties of 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline?
7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline has a molecular weight of 271.77 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(E)-2-thiophen-2-ylethenyl]quinoline is sourced from PubChem (CID 18149996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).