6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one

C14H11N3O — CID 14373279

IUPAC6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one
SMILESO=c1ccc2cc(/C=C/n3ccnc3)ccc2[nH]1
InChIInChI=1S/C14H11N3O/c18-14-4-2-12-9-11(1-3-13(12)16-14)5-7-17-8-6-15-10-17/h1-10H,(H,16,18)/b7-5+
InChIKeyULTZJAJIZBBKSG-FNORWQNLSA-N
MW237.26 g/mol
LogP2.35
Rot. Bonds2

About 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one

6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one (PubChem CID 14373279) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one
PubChem CID14373279
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one
SMILESO=c1ccc2cc(/C=C/n3ccnc3)ccc2[nH]1
InChIInChI=1S/C14H11N3O/c18-14-4-2-12-9-11(1-3-13(12)16-14)5-7-17-8-6-15-10-17/h1-10H,(H,16,18)/b7-5+
InChIKeyULTZJAJIZBBKSG-FNORWQNLSA-N
XLogP2.35
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one?
The IUPAC name of 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one (CID 14373279) is 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one is O=c1ccc2cc(/C=C/n3ccnc3)ccc2[nH]1.
What is the InChIKey of 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one?
The InChIKey is ULTZJAJIZBBKSG-FNORWQNLSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-4-2-12-9-11(1-3-13(12)16-14)5-7-17-8-6-15-10-17/h1-10H,(H,16,18)/b7-5+.
What are the key properties of 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one?
6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-imidazol-1-ylethenyl]-1H-quinolin-2-one is sourced from PubChem (CID 14373279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).