2-pent-4-enoxyquinoline-3-carbonitrile

C15H14N2O — CID 79113922

IUPAC2-pent-4-enoxyquinoline-3-carbonitrile
SMILESC=CCCCOc1nc2ccccc2cc1C#N
InChIInChI=1S/C15H14N2O/c1-2-3-6-9-18-15-13(11-16)10-12-7-4-5-8-14(12)17-15/h2,4-5,7-8,10H,1,3,6,9H2
InChIKeyBEOHNRVZBNHELC-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.45
Rot. Bonds5

About 2-pent-4-enoxyquinoline-3-carbonitrile

2-pent-4-enoxyquinoline-3-carbonitrile (PubChem CID 79113922) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-pent-4-enoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-pent-4-enoxyquinoline-3-carbonitrile
PubChem CID79113922
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-pent-4-enoxyquinoline-3-carbonitrile
SMILESC=CCCCOc1nc2ccccc2cc1C#N
InChIInChI=1S/C15H14N2O/c1-2-3-6-9-18-15-13(11-16)10-12-7-4-5-8-14(12)17-15/h2,4-5,7-8,10H,1,3,6,9H2
InChIKeyBEOHNRVZBNHELC-UHFFFAOYSA-N
XLogP3.45
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(pent-4-enyl)amino]quinoline-3-carbonitrile
CID 115681023
2-(2-cyclobutylethoxy)quinoline-3-carbonitrile
CID 106201549
2-aminooxyquinoline-3-carbonitrile
CID 79428032
2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877373
2-(3,4-dimethylcyclohexyl)oxyquinoline-3-carbonitrile
CID 64746139
CID 10263377
CID 10263377
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
2-(hydroxymethyl)quinoline-3-carbonitrile
CID 83383623
2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile
CID 64602527
2-(3-bromo-4-fluorophenoxy)quinoline-3-carbonitrile
CID 83233797
2-methyl-6-pent-4-enoxypyridine-4-carbonitrile
CID 114766957
2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile
CID 102609273

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enoxyquinoline-3-carbonitrile?
The IUPAC name of 2-pent-4-enoxyquinoline-3-carbonitrile (CID 79113922) is 2-pent-4-enoxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-pent-4-enoxyquinoline-3-carbonitrile?
The canonical SMILES for 2-pent-4-enoxyquinoline-3-carbonitrile is C=CCCCOc1nc2ccccc2cc1C#N.
What is the InChIKey of 2-pent-4-enoxyquinoline-3-carbonitrile?
The InChIKey is BEOHNRVZBNHELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-3-6-9-18-15-13(11-16)10-12-7-4-5-8-14(12)17-15/h2,4-5,7-8,10H,1,3,6,9H2.
What are the key properties of 2-pent-4-enoxyquinoline-3-carbonitrile?
2-pent-4-enoxyquinoline-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enoxyquinoline-3-carbonitrile is sourced from PubChem (CID 79113922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).