(2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline

C17H17N — CID 155374318

IUPAC(2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline
SMILESC/C=C/C=c1/cc2ccccc2n/c1=C/C=C/C
InChIInChI=1S/C17H17N/c1-3-5-9-14-13-15-10-7-8-12-17(15)18-16(14)11-6-4-2/h3-13H,1-2H3/b5-3+,6-4+,14-9-,16-11+
InChIKeyPMJXXLOYTUSETK-DIGGKSETSA-N
MW235.33 g/mol
LogP2.95
Rot. Bonds2

About (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline

(2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline (PubChem CID 155374318) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline.

Molecular Properties

Compound Name(2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline
PubChem CID155374318
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline
SMILESC/C=C/C=c1/cc2ccccc2n/c1=C/C=C/C
InChIInChI=1S/C17H17N/c1-3-5-9-14-13-15-10-7-8-12-17(15)18-16(14)11-6-4-2/h3-13H,1-2H3/b5-3+,6-4+,14-9-,16-11+
InChIKeyPMJXXLOYTUSETK-DIGGKSETSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline?
The IUPAC name of (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline (CID 155374318) is (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline.
What is the SMILES notation for (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline?
The canonical SMILES for (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline is C/C=C/C=c1/cc2ccccc2n/c1=C/C=C/C.
What is the InChIKey of (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline?
The InChIKey is PMJXXLOYTUSETK-DIGGKSETSA-N. The full InChI is InChI=1S/C17H17N/c1-3-5-9-14-13-15-10-7-8-12-17(15)18-16(14)11-6-4-2/h3-13H,1-2H3/b5-3+,6-4+,14-9-,16-11+.
What are the key properties of (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline?
(2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline has a molecular weight of 235.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-bis[(E)-but-2-enylidene]quinoline is sourced from PubChem (CID 155374318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).