4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

C16H14N2O3 — CID 61399698

IUPAC4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)Cc2cccc(O)c2)c2ccccc2N1
InChIInChI=1S/C16H14N2O3/c19-12-5-3-4-11(8-12)9-16(21)18-10-15(20)17-13-6-1-2-7-14(13)18/h1-8,19H,9-10H2,(H,17,20)
InChIKeyWVVUVGQWLDERME-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.92
Rot. Bonds2

About 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 61399698) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID61399698
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)Cc2cccc(O)c2)c2ccccc2N1
InChIInChI=1S/C16H14N2O3/c19-12-5-3-4-11(8-12)9-16(21)18-10-15(20)17-13-6-1-2-7-14(13)18/h1-8,19H,9-10H2,(H,17,20)
InChIKeyWVVUVGQWLDERME-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-naphthalen-2-ylacetyl)-1,3-dihydroquinoxalin-2-one
CID 16864035
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
2-(3-hydroxyphenyl)-1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 64851980
4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
CID 66085297
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-(3-hydroxyphenyl)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone
CID 63100746
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107722296
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 61399698) is 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)Cc2cccc(O)c2)c2ccccc2N1.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is WVVUVGQWLDERME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-12-5-3-4-11(8-12)9-16(21)18-10-15(20)17-13-6-1-2-7-14(13)18/h1-8,19H,9-10H2,(H,17,20).
What are the key properties of 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 282.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 61399698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).