2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline

C23H16N2O — CID 59797507

IUPAC2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
SMILESC(#Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccncc1
InChIInChI=1S/C23H16N2O/c1-2-4-23-20(3-1)9-10-21(25-23)17-26-22-11-7-18(8-12-22)5-6-19-13-15-24-16-14-19/h1-4,7-16H,17H2
InChIKeyPHDPGIKDIVHPRO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.61
Rot. Bonds3

About 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline

2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline (PubChem CID 59797507) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
PubChem CID59797507
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
SMILESC(#Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccncc1
InChIInChI=1S/C23H16N2O/c1-2-4-23-20(3-1)9-10-21(25-23)17-26-22-11-7-18(8-12-22)5-6-19-13-15-24-16-14-19/h1-4,7-16H,17H2
InChIKeyPHDPGIKDIVHPRO-UHFFFAOYSA-N
XLogP4.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
5-pyridin-4-yl-4-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazole
CID 11603302
3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]benzonitrile
CID 44600240
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
2-[[4-(3-methyl-5-pyridin-4-yltriazol-4-yl)phenoxy]methyl]quinoline
CID 11538425
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-[[4-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl]quinoline
CID 11646834
4-pyridin-4-yl-7-(quinolin-2-ylmethoxy)quinazoline
CID 24944868
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline (CID 59797507) is 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline is C(#Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccncc1.
What is the InChIKey of 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline?
The InChIKey is PHDPGIKDIVHPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-2-4-23-20(3-1)9-10-21(25-23)17-26-22-11-7-18(8-12-22)5-6-19-13-15-24-16-14-19/h1-4,7-16H,17H2.
What are the key properties of 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline?
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline has a molecular weight of 336.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline is sourced from PubChem (CID 59797507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).