1-(1H-imidazol-5-ylmethyl)quinolin-2-one

C13H11N3O — CID 22226593

IUPAC1-(1H-imidazol-5-ylmethyl)quinolin-2-one
SMILESO=c1ccc2ccccc2n1Cc1cnc[nH]1
InChIInChI=1S/C13H11N3O/c17-13-6-5-10-3-1-2-4-12(10)16(13)8-11-7-14-9-15-11/h1-7,9H,8H2,(H,14,15)
InChIKeyHJXHONZVBHPOFC-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.77
Rot. Bonds2

About 1-(1H-imidazol-5-ylmethyl)quinolin-2-one

1-(1H-imidazol-5-ylmethyl)quinolin-2-one (PubChem CID 22226593) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)quinolin-2-one
PubChem CID22226593
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1-(1H-imidazol-5-ylmethyl)quinolin-2-one
SMILESO=c1ccc2ccccc2n1Cc1cnc[nH]1
InChIInChI=1S/C13H11N3O/c17-13-6-5-10-3-1-2-4-12(10)16(13)8-11-7-14-9-15-11/h1-7,9H,8H2,(H,14,15)
InChIKeyHJXHONZVBHPOFC-UHFFFAOYSA-N
XLogP1.77
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)quinolin-2-one?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)quinolin-2-one (CID 22226593) is 1-(1H-imidazol-5-ylmethyl)quinolin-2-one.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)quinolin-2-one?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)quinolin-2-one is O=c1ccc2ccccc2n1Cc1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)quinolin-2-one?
The InChIKey is HJXHONZVBHPOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-6-5-10-3-1-2-4-12(10)16(13)8-11-7-14-9-15-11/h1-7,9H,8H2,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)quinolin-2-one?
1-(1H-imidazol-5-ylmethyl)quinolin-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)quinolin-2-one is sourced from PubChem (CID 22226593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).