1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one

C20H18N4O — CID 141114210

IUPAC1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one
SMILESCCn1c(=O)cnc2cc(C(c3ccccc3)n3ccnc3)ccc21
InChIInChI=1S/C20H18N4O/c1-2-24-18-9-8-16(12-17(18)22-13-19(24)25)20(23-11-10-21-14-23)15-6-4-3-5-7-15/h3-14,20H,2H2,1H3
InChIKeyZKICWVMFJLLNMF-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.25
Rot. Bonds4

About 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one

1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one (PubChem CID 141114210) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one
PubChem CID141114210
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one
SMILESCCn1c(=O)cnc2cc(C(c3ccccc3)n3ccnc3)ccc21
InChIInChI=1S/C20H18N4O/c1-2-24-18-9-8-16(12-17(18)22-13-19(24)25)20(23-11-10-21-14-23)15-6-4-3-5-7-15/h3-14,20H,2H2,1H3
InChIKeyZKICWVMFJLLNMF-UHFFFAOYSA-N
XLogP3.25
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one?
The IUPAC name of 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one (CID 141114210) is 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one is CCn1c(=O)cnc2cc(C(c3ccccc3)n3ccnc3)ccc21.
What is the InChIKey of 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one?
The InChIKey is ZKICWVMFJLLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-24-18-9-8-16(12-17(18)22-13-19(24)25)20(23-11-10-21-14-23)15-6-4-3-5-7-15/h3-14,20H,2H2,1H3.
What are the key properties of 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one?
1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 141114210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).