3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline

C21H15N3 — CID 50973787

IUPAC3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline
SMILESC#CCn1cnc(-c2ccccc2)c1-c1cnc2ccccc2c1
InChIInChI=1S/C21H15N3/c1-2-12-24-15-23-20(16-8-4-3-5-9-16)21(24)18-13-17-10-6-7-11-19(17)22-14-18/h1,3-11,13-15H,12H2
InChIKeyQBYFRLXCNXQVRH-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.40
Rot. Bonds3

About 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline

3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline (PubChem CID 50973787) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline.

Molecular Properties

Compound Name3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline
PubChem CID50973787
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline
SMILESC#CCn1cnc(-c2ccccc2)c1-c1cnc2ccccc2c1
InChIInChI=1S/C21H15N3/c1-2-12-24-15-23-20(16-8-4-3-5-9-16)21(24)18-13-17-10-6-7-11-19(17)22-14-18/h1,3-11,13-15H,12H2
InChIKeyQBYFRLXCNXQVRH-UHFFFAOYSA-N
XLogP4.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline?
The IUPAC name of 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline (CID 50973787) is 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline.
What is the SMILES notation for 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline?
The canonical SMILES for 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline is C#CCn1cnc(-c2ccccc2)c1-c1cnc2ccccc2c1.
What is the InChIKey of 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline?
The InChIKey is QBYFRLXCNXQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c1-2-12-24-15-23-20(16-8-4-3-5-9-16)21(24)18-13-17-10-6-7-11-19(17)22-14-18/h1,3-11,13-15H,12H2.
What are the key properties of 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline?
3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline has a molecular weight of 309.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-3-prop-2-ynylimidazol-4-yl)quinoline is sourced from PubChem (CID 50973787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).