6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one

C20H23N3O — CID 54242985

IUPAC6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one
SMILESCCCCCCC(=Cn1ccnc1)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C20H23N3O/c1-2-3-4-5-6-18(14-23-12-11-21-15-23)16-7-9-19-17(13-16)8-10-20(24)22-19/h7-15H,2-6H2,1H3,(H,22,24)
InChIKeyQRHRWAXQAMTOHO-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.69
Rot. Bonds7

About 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one

6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one (PubChem CID 54242985) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one
PubChem CID54242985
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one
SMILESCCCCCCC(=Cn1ccnc1)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C20H23N3O/c1-2-3-4-5-6-18(14-23-12-11-21-15-23)16-7-9-19-17(13-16)8-10-20(24)22-19/h7-15H,2-6H2,1H3,(H,22,24)
InChIKeyQRHRWAXQAMTOHO-UHFFFAOYSA-N
XLogP4.69
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one?
The IUPAC name of 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one (CID 54242985) is 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one is CCCCCCC(=Cn1ccnc1)c1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one?
The InChIKey is QRHRWAXQAMTOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-3-4-5-6-18(14-23-12-11-21-15-23)16-7-9-19-17(13-16)8-10-20(24)22-19/h7-15H,2-6H2,1H3,(H,22,24).
What are the key properties of 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one?
6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one has a molecular weight of 321.42 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imidazol-1-yloct-1-en-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 54242985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).