(E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one

C21H15N3O — CID 19541207

IUPAC(E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccnc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H15N3O/c25-21(17-5-8-18(9-6-17)24-14-13-22-15-24)10-7-16-11-12-23-20-4-2-1-3-19(16)20/h1-15H/b10-7+
InChIKeyRKFAZGYHMUGOKF-JXMROGBWSA-N
MW325.37 g/mol
LogP4.32
Rot. Bonds4

About (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one

(E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one (PubChem CID 19541207) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
PubChem CID19541207
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name(E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccnc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H15N3O/c25-21(17-5-8-18(9-6-17)24-14-13-22-15-24)10-7-16-11-12-23-20-4-2-1-3-19(16)20/h1-15H/b10-7+
InChIKeyRKFAZGYHMUGOKF-JXMROGBWSA-N
XLogP4.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one (CID 19541207) is (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccnc2ccccc12)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one?
The InChIKey is RKFAZGYHMUGOKF-JXMROGBWSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(17-5-8-18(9-6-17)24-14-13-22-15-24)10-7-16-11-12-23-20-4-2-1-3-19(16)20/h1-15H/b10-7+.
What are the key properties of (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one?
(E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one has a molecular weight of 325.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-imidazol-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one is sourced from PubChem (CID 19541207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).