1-imidazol-1-ylquinolin-2-one

C12H9N3O — CID 91229720

IUPAC1-imidazol-1-ylquinolin-2-one
SMILESO=c1ccc2ccccc2n1-n1ccnc1
InChIInChI=1S/C12H9N3O/c16-12-6-5-10-3-1-2-4-11(10)15(12)14-8-7-13-9-14/h1-9H
InChIKeyPIKPWOQTXWPMNY-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.51
Rot. Bonds1

About 1-imidazol-1-ylquinolin-2-one

1-imidazol-1-ylquinolin-2-one (PubChem CID 91229720) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-imidazol-1-ylquinolin-2-one.

Molecular Properties

Compound Name1-imidazol-1-ylquinolin-2-one
PubChem CID91229720
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name1-imidazol-1-ylquinolin-2-one
SMILESO=c1ccc2ccccc2n1-n1ccnc1
InChIInChI=1S/C12H9N3O/c16-12-6-5-10-3-1-2-4-11(10)15(12)14-8-7-13-9-14/h1-9H
InChIKeyPIKPWOQTXWPMNY-UHFFFAOYSA-N
XLogP1.51
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylquinolin-2-one?
The IUPAC name of 1-imidazol-1-ylquinolin-2-one (CID 91229720) is 1-imidazol-1-ylquinolin-2-one.
What is the SMILES notation for 1-imidazol-1-ylquinolin-2-one?
The canonical SMILES for 1-imidazol-1-ylquinolin-2-one is O=c1ccc2ccccc2n1-n1ccnc1.
What is the InChIKey of 1-imidazol-1-ylquinolin-2-one?
The InChIKey is PIKPWOQTXWPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-6-5-10-3-1-2-4-11(10)15(12)14-8-7-13-9-14/h1-9H.
What are the key properties of 1-imidazol-1-ylquinolin-2-one?
1-imidazol-1-ylquinolin-2-one has a molecular weight of 211.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylquinolin-2-one is sourced from PubChem (CID 91229720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).