4-[2-(2H-quinolin-1-yl)ethynyl]quinoline

C20H14N2 — CID 90338293

IUPAC4-[2-(2H-quinolin-1-yl)ethynyl]quinoline
SMILESC(#CN1CC=Cc2ccccc21)c1ccnc2ccccc12
InChIInChI=1S/C20H14N2/c1-4-10-20-17(6-1)7-5-14-22(20)15-12-16-11-13-21-19-9-3-2-8-18(16)19/h1-11,13H,14H2
InChIKeyCFOWMOJJKIOPJU-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.08
Rot. Bonds

About 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline

4-[2-(2H-quinolin-1-yl)ethynyl]quinoline (PubChem CID 90338293) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline.

Molecular Properties

Compound Name4-[2-(2H-quinolin-1-yl)ethynyl]quinoline
PubChem CID90338293
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name4-[2-(2H-quinolin-1-yl)ethynyl]quinoline
SMILESC(#CN1CC=Cc2ccccc21)c1ccnc2ccccc12
InChIInChI=1S/C20H14N2/c1-4-10-20-17(6-1)7-5-14-22(20)15-12-16-11-13-21-19-9-3-2-8-18(16)19/h1-11,13H,14H2
InChIKeyCFOWMOJJKIOPJU-UHFFFAOYSA-N
XLogP4.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.08
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

4-[2-(4-methylphenyl)ethynyl]quinoline
CID 11356949
isoquinoline;2H-quinoline-1-carbonitrile
CID 174874786
2-(2H-quinolin-1-yl)quinoline
CID 149254118
ethane;4-methylquinoline
CID 90853056
argon;4-methylquinoline
CID 175059803
1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide
CID 160852732
iodomethane;4-methylquinoline
CID 161278358
10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline
CID 175389564
1-quinolin-4-ylpiperidin-4-one
CID 22000285
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
5-pyrrolidin-1-ylquinoline
CID 118731129
CID 160608048
CID 160608048

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline?
The IUPAC name of 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline (CID 90338293) is 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline.
What is the SMILES notation for 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline?
The canonical SMILES for 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline is C(#CN1CC=Cc2ccccc21)c1ccnc2ccccc12.
What is the InChIKey of 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline?
The InChIKey is CFOWMOJJKIOPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-4-10-20-17(6-1)7-5-14-22(20)15-12-16-11-13-21-19-9-3-2-8-18(16)19/h1-11,13H,14H2.
What are the key properties of 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline?
4-[2-(2H-quinolin-1-yl)ethynyl]quinoline has a molecular weight of 282.35 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2H-quinolin-1-yl)ethynyl]quinoline is sourced from PubChem (CID 90338293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).