4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one

C21H16N2O3 — CID 122180905

IUPAC4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc(O)cc(-c3ccccc3)c2)c2ccccc2N1
InChIInChI=1S/C21H16N2O3/c24-17-11-15(14-6-2-1-3-7-14)10-16(12-17)21(26)23-13-20(25)22-18-8-4-5-9-19(18)23/h1-12,24H,13H2,(H,22,25)
InChIKeyPPMZHVRFVHCDAF-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.66
Rot. Bonds2

About 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one

4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 122180905) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID122180905
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc(O)cc(-c3ccccc3)c2)c2ccccc2N1
InChIInChI=1S/C21H16N2O3/c24-17-11-15(14-6-2-1-3-7-14)10-16(12-17)21(26)23-13-20(25)22-18-8-4-5-9-19(18)23/h1-12,24H,13H2,(H,22,25)
InChIKeyPPMZHVRFVHCDAF-UHFFFAOYSA-N
XLogP3.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 122180905) is 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cc(O)cc(-c3ccccc3)c2)c2ccccc2N1.
What is the InChIKey of 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is PPMZHVRFVHCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-17-11-15(14-6-2-1-3-7-14)10-16(12-17)21(26)23-13-20(25)22-18-8-4-5-9-19(18)23/h1-12,24H,13H2,(H,22,25).
What are the key properties of 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 344.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-5-phenylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 122180905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).