2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline

C16H15N — CID 155373774

IUPAC2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline
SMILESC=C(/C=C\C=C/C)c1ccc2ccccc2n1
InChIInChI=1S/C16H15N/c1-3-4-5-8-13(2)15-12-11-14-9-6-7-10-16(14)17-15/h3-12H,2H2,1H3/b4-3-,8-5-
InChIKeyJPFGUUQXWMYHTL-UBNNFMAXSA-N
MW221.30 g/mol
LogP4.38
Rot. Bonds3

About 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline

2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline (PubChem CID 155373774) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline.

Molecular Properties

Compound Name2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline
PubChem CID155373774
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline
SMILESC=C(/C=C\C=C/C)c1ccc2ccccc2n1
InChIInChI=1S/C16H15N/c1-3-4-5-8-13(2)15-12-11-14-9-6-7-10-16(14)17-15/h3-12H,2H2,1H3/b4-3-,8-5-
InChIKeyJPFGUUQXWMYHTL-UBNNFMAXSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline
CID 142151113
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
CID 142487989
copper;quinoline-2-carboxylic acid
CID 68537473
2-(3-chloroprop-1-en-2-yl)quinoline
CID 54037499
3-methyl-1-quinolin-2-ylbut-3-en-1-one
CID 79177139
2-(3-methylbuta-1,3-dienyl)quinoline
CID 1274018
3-methyl-1-quinolin-2-ylbut-2-en-1-one
CID 79190810
europium;quinoline-2-carboxylic acid
CID 87730482
methyl quinoline-2-carbodithioate
CID 71374861
2-(4-bromophenyl)-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-phenylpyrimidine
CID 146497769
(E)-1-quinolin-2-yl-N-[2-[[(E)-1-quinolin-2-ylethylideneamino]oxymethyl]prop-2-enoxy]ethanimine
CID 25265136
(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
CID 23656826

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline?
The IUPAC name of 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline (CID 155373774) is 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline.
What is the SMILES notation for 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline?
The canonical SMILES for 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline is C=C(/C=C\C=C/C)c1ccc2ccccc2n1.
What is the InChIKey of 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline?
The InChIKey is JPFGUUQXWMYHTL-UBNNFMAXSA-N. The full InChI is InChI=1S/C16H15N/c1-3-4-5-8-13(2)15-12-11-14-9-6-7-10-16(14)17-15/h3-12H,2H2,1H3/b4-3-,8-5-.
What are the key properties of 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline?
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline has a molecular weight of 221.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline is sourced from PubChem (CID 155373774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).