2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one

C17H22N4O — CID 86790478

IUPAC2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(C)n2ccnc2)c2ccccc2N1
InChIInChI=1S/C17H22N4O/c1-12(2)15-10-21(16-7-5-4-6-14(16)19-15)17(22)13(3)20-9-8-18-11-20/h4-9,11-13,15,19H,10H2,1-3H3
InChIKeyACZVLFFZNAYFSL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.93
Rot. Bonds3

About 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one

2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one (PubChem CID 86790478) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one
PubChem CID86790478
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(C)n2ccnc2)c2ccccc2N1
InChIInChI=1S/C17H22N4O/c1-12(2)15-10-21(16-7-5-4-6-14(16)19-15)17(22)13(3)20-9-8-18-11-20/h4-9,11-13,15,19H,10H2,1-3H3
InChIKeyACZVLFFZNAYFSL-UHFFFAOYSA-N
XLogP2.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one (CID 86790478) is 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one is CC(C)C1CN(C(=O)C(C)n2ccnc2)c2ccccc2N1.
What is the InChIKey of 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one?
The InChIKey is ACZVLFFZNAYFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)15-10-21(16-7-5-4-6-14(16)19-15)17(22)13(3)20-9-8-18-11-20/h4-9,11-13,15,19H,10H2,1-3H3.
What are the key properties of 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one?
2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl)propan-1-one is sourced from PubChem (CID 86790478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).