(E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile

C16H10N2S — CID 11964707

IUPAC(E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccnc2ccccc12)c1cccs1
InChIInChI=1S/C16H10N2S/c17-11-13(16-6-3-9-19-16)10-12-7-8-18-15-5-2-1-4-14(12)15/h1-10H/b13-10+
InChIKeyDCLYJBAVDSIJQE-JLHYYAGUSA-N
MW262.34 g/mol
LogP4.36
Rot. Bonds2

About (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile

(E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile (PubChem CID 11964707) has the molecular formula C16H10N2S and a molecular weight of 262.34 g/mol. Its IUPAC name is (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile
PubChem CID11964707
Molecular FormulaC16H10N2S
Molecular Weight262.34 g/mol
Exact Mass262.06
IUPAC Name(E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccnc2ccccc12)c1cccs1
InChIInChI=1S/C16H10N2S/c17-11-13(16-6-3-9-19-16)10-12-7-8-18-15-5-2-1-4-14(12)15/h1-10H/b13-10+
InChIKeyDCLYJBAVDSIJQE-JLHYYAGUSA-N
XLogP4.36
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile?
The IUPAC name of (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile (CID 11964707) is (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile is N#C/C(=C\c1ccnc2ccccc12)c1cccs1.
What is the InChIKey of (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile?
The InChIKey is DCLYJBAVDSIJQE-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H10N2S/c17-11-13(16-6-3-9-19-16)10-12-7-8-18-15-5-2-1-4-14(12)15/h1-10H/b13-10+.
What are the key properties of (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile?
(E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile has a molecular weight of 262.34 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile is sourced from PubChem (CID 11964707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).