3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline

C24H18N2 — CID 145057330

IUPAC3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline
SMILESCCc1cc2cccc(C#Cc3ccncc3)c2nc1-c1ccccc1
InChIInChI=1S/C24H18N2/c1-2-19-17-22-10-6-9-21(12-11-18-13-15-25-16-14-18)24(22)26-23(19)20-7-4-3-5-8-20/h3-10,13-17H,2H2,1H3
InChIKeyFHHLAQSOMYQMCN-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.26
Rot. Bonds2

About 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline

3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline (PubChem CID 145057330) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline.

Molecular Properties

Compound Name3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline
PubChem CID145057330
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline
SMILESCCc1cc2cccc(C#Cc3ccncc3)c2nc1-c1ccccc1
InChIInChI=1S/C24H18N2/c1-2-19-17-22-10-6-9-21(12-11-18-13-15-25-16-14-18)24(22)26-23(19)20-7-4-3-5-8-20/h3-10,13-17H,2H2,1H3
InChIKeyFHHLAQSOMYQMCN-UHFFFAOYSA-N
XLogP5.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline
CID 145057524
6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine
CID 145057345
4-[2-[3-[3-(2-pyridin-4-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 53343119
4-[2-[2-(2-methylpropyl)phenyl]ethynyl]pyridine
CID 58439628
2-(8-methyl-2-phenylquinolin-3-yl)ethanol
CID 68623431
2-(2-pyridin-4-ylethynyl)phenol
CID 175485114
2-ethyl-3-phenyl-6-(2-pyridin-4-ylethynyl)pyrido[1,2-a]pyrimidin-4-one
CID 145057464
3-ethyl-8-phenylquinolin-2-amine
CID 55175955
4-[2-(2-bromophenyl)ethynyl]pyridine
CID 131366975
8-chloro-3-ethyl-2-pyridin-2-ylquinoline
CID 70898648
2-(4-methylphenyl)-3-(2-pyridin-4-ylethynyl)benzoic acid
CID 118078388
(3-ethyl-8-phenylquinolin-2-yl)hydrazine
CID 63524029

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline?
The IUPAC name of 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline (CID 145057330) is 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline.
What is the SMILES notation for 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline?
The canonical SMILES for 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline is CCc1cc2cccc(C#Cc3ccncc3)c2nc1-c1ccccc1.
What is the InChIKey of 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline?
The InChIKey is FHHLAQSOMYQMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-2-19-17-22-10-6-9-21(12-11-18-13-15-25-16-14-18)24(22)26-23(19)20-7-4-3-5-8-20/h3-10,13-17H,2H2,1H3.
What are the key properties of 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline?
3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline has a molecular weight of 334.42 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-phenyl-8-(2-pyridin-4-ylethynyl)quinoline is sourced from PubChem (CID 145057330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).