2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline

C18H14N2 — CID 91436844

IUPAC2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
SMILESC(C=Cc1ccc2ccccc2n1)=Cc1ccccn1
InChIInChI=1S/C18H14N2/c1-4-11-18-15(7-1)12-13-17(20-18)10-3-2-8-16-9-5-6-14-19-16/h1-14H
InChIKeyMXNNOHDLWUPORO-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.36
Rot. Bonds3

About 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline

2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline (PubChem CID 91436844) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline.

Molecular Properties

Compound Name2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
PubChem CID91436844
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline
SMILESC(C=Cc1ccc2ccccc2n1)=Cc1ccccn1
InChIInChI=1S/C18H14N2/c1-4-11-18-15(7-1)12-13-17(20-18)10-3-2-8-16-9-5-6-14-19-16/h1-14H
InChIKeyMXNNOHDLWUPORO-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-naphthalen-2-ylbuta-1,3-dienyl)pyridine
CID 90870778
(2E)-5-pyridin-2-ylpenta-2,4-dienal
CID 87959329
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
methyl (2E,4E)-5-quinolin-2-ylpenta-2,4-dienoate
CID 11139204
2-(4-pyridin-2-ylbuta-1,3-dienyl)-1,3-benzothiazole
CID 155776746
5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine
CID 91023866
2-[N-(2-hydroxyethyl)-4-[(1E,3E)-4-quinolin-2-ylbuta-1,3-dienyl]anilino]ethanol
CID 141489653
quinoline-2-carbaldehyde;hydrate
CID 158547927
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-(3-methylbuta-1,3-dienyl)quinoline
CID 1274018
2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline
CID 6445032

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline?
The IUPAC name of 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline (CID 91436844) is 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline.
What is the SMILES notation for 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline?
The canonical SMILES for 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline is C(C=Cc1ccc2ccccc2n1)=Cc1ccccn1.
What is the InChIKey of 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline?
The InChIKey is MXNNOHDLWUPORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-4-11-18-15(7-1)12-13-17(20-18)10-3-2-8-16-9-5-6-14-19-16/h1-14H.
What are the key properties of 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline?
2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline has a molecular weight of 258.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylbuta-1,3-dienyl)quinoline is sourced from PubChem (CID 91436844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).