(Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile

C17H11N3 — CID 174536939

IUPAC(Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile
SMILESN#C/C=C\c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C17H11N3/c18-9-3-5-13-11-17(14-6-4-10-19-12-14)20-16-8-2-1-7-15(13)16/h1-8,10-12H/b5-3-
InChIKeyMTEWLFZLSKRULK-HYXAFXHYSA-N
MW257.30 g/mol
LogP3.83
Rot. Bonds2

About (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile

(Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile (PubChem CID 174536939) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile
PubChem CID174536939
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name(Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile
SMILESN#C/C=C\c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C17H11N3/c18-9-3-5-13-11-17(14-6-4-10-19-12-14)20-16-8-2-1-7-15(13)16/h1-8,10-12H/b5-3-
InChIKeyMTEWLFZLSKRULK-HYXAFXHYSA-N
XLogP3.83
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.83
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 (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile (CID 174536939) is (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile is N#C/C=C\c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile?
The InChIKey is MTEWLFZLSKRULK-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H11N3/c18-9-3-5-13-11-17(14-6-4-10-19-12-14)20-16-8-2-1-7-15(13)16/h1-8,10-12H/b5-3-.
What are the key properties of (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile?
(Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile has a molecular weight of 257.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-pyridin-3-ylquinolin-4-yl)prop-2-enenitrile is sourced from PubChem (CID 174536939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).