(Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile

C20H12N2S2 — CID 57398522

IUPAC(Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2cccs2)s1)c1ccc2ccccc2n1
InChIInChI=1S/C20H12N2S2/c21-13-15(18-9-7-14-4-1-2-5-17(14)22-18)12-16-8-10-20(24-16)19-6-3-11-23-19/h1-12H/b15-12+
InChIKeyJYPNUDRDQPAJCE-NTCAYCPXSA-N
MW344.46 g/mol
LogP6.09
Rot. Bonds3

About (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile

(Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile (PubChem CID 57398522) has the molecular formula C20H12N2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
PubChem CID57398522
Molecular FormulaC20H12N2S2
Molecular Weight344.46 g/mol
Exact Mass344.04
IUPAC Name(Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2cccs2)s1)c1ccc2ccccc2n1
InChIInChI=1S/C20H12N2S2/c21-13-15(18-9-7-14-4-1-2-5-17(14)22-18)12-16-8-10-20(24-16)19-6-3-11-23-19/h1-12H/b15-12+
InChIKeyJYPNUDRDQPAJCE-NTCAYCPXSA-N
XLogP6.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile (CID 57398522) is (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccc(-c2cccs2)s1)c1ccc2ccccc2n1.
What is the InChIKey of (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile?
The InChIKey is JYPNUDRDQPAJCE-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H12N2S2/c21-13-15(18-9-7-14-4-1-2-5-17(14)22-18)12-16-8-10-20(24-16)19-6-3-11-23-19/h1-12H/b15-12+.
What are the key properties of (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile?
(Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile has a molecular weight of 344.46 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile is sourced from PubChem (CID 57398522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).