2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile

C17H15N3 — CID 6526426

IUPAC2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile
SMILESCCN1/C(=C/C=C(C#N)C#N)C=Cc2cc(C)ccc21
InChIInChI=1S/C17H15N3/c1-3-20-16(7-5-14(11-18)12-19)8-6-15-10-13(2)4-9-17(15)20/h4-10H,3H2,1-2H3/b16-7+
InChIKeyUEZYCOUVVQRHAM-FRKPEAEDSA-N
MW261.33 g/mol
LogP3.71
Rot. Bonds2

About 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile

2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile (PubChem CID 6526426) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile
PubChem CID6526426
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile
SMILESCCN1/C(=C/C=C(C#N)C#N)C=Cc2cc(C)ccc21
InChIInChI=1S/C17H15N3/c1-3-20-16(7-5-14(11-18)12-19)8-6-15-10-13(2)4-9-17(15)20/h4-10H,3H2,1-2H3/b16-7+
InChIKeyUEZYCOUVVQRHAM-FRKPEAEDSA-N
XLogP3.71
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.71
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 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile?
The IUPAC name of 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile (CID 6526426) is 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile.
What is the SMILES notation for 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile?
The canonical SMILES for 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile is CCN1/C(=C/C=C(C#N)C#N)C=Cc2cc(C)ccc21.
What is the InChIKey of 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile?
The InChIKey is UEZYCOUVVQRHAM-FRKPEAEDSA-N. The full InChI is InChI=1S/C17H15N3/c1-3-20-16(7-5-14(11-18)12-19)8-6-15-10-13(2)4-9-17(15)20/h4-10H,3H2,1-2H3/b16-7+.
What are the key properties of 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile?
2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile has a molecular weight of 261.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(1-ethyl-6-methylquinolin-2-ylidene)ethylidene]propanedinitrile is sourced from PubChem (CID 6526426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).