3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

C17H18N2O — CID 82157135

IUPAC3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCC(C)N1C(=O)C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-16(17(19)20)13-8-4-3-5-9-13/h3-12,16,18H,1-2H3
InChIKeyMOZUSYCLEQTXSL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.59
Rot. Bonds2

About 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157135) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID82157135
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCC(C)N1C(=O)C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-16(17(19)20)13-8-4-3-5-9-13/h3-12,16,18H,1-2H3
InChIKeyMOZUSYCLEQTXSL-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 82157135) is 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is CC(C)N1C(=O)C(c2ccccc2)Nc2ccccc21.
What is the InChIKey of 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is MOZUSYCLEQTXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-16(17(19)20)13-8-4-3-5-9-13/h3-12,16,18H,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).