2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline

C15H13N3 — CID 18467017

IUPAC2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\Cn1ccnc1
InChIInChI=1S/C15H13N3/c1-2-6-15-13(4-1)7-8-14(17-15)5-3-10-18-11-9-16-12-18/h1-9,11-12H,10H2/b5-3+
InChIKeyLSWRAUQXLQYFHA-HWKANZROSA-N
MW235.29 g/mol
LogP3.14
Rot. Bonds3

About 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline

2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline (PubChem CID 18467017) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline.

Molecular Properties

Compound Name2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
PubChem CID18467017
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\Cn1ccnc1
InChIInChI=1S/C15H13N3/c1-2-6-15-13(4-1)7-8-14(17-15)5-3-10-18-11-9-16-12-18/h1-9,11-12H,10H2/b5-3+
InChIKeyLSWRAUQXLQYFHA-HWKANZROSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline?
The IUPAC name of 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline (CID 18467017) is 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline.
What is the SMILES notation for 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline?
The canonical SMILES for 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline is C(=C/c1ccc2ccccc2n1)\Cn1ccnc1.
What is the InChIKey of 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline?
The InChIKey is LSWRAUQXLQYFHA-HWKANZROSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-6-15-13(4-1)7-8-14(17-15)5-3-10-18-11-9-16-12-18/h1-9,11-12H,10H2/b5-3+.
What are the key properties of 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline?
2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline has a molecular weight of 235.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline is sourced from PubChem (CID 18467017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).