4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one

C15H12N2O4 — CID 107722296

IUPAC4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc(O)ccc2O)c2ccccc2N1
InChIInChI=1S/C15H12N2O4/c18-9-5-6-13(19)10(7-9)15(21)17-8-14(20)16-11-3-1-2-4-12(11)17/h1-7,18-19H,8H2,(H,16,20)
InChIKeyMNJNFYJTVDQPDD-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.70
Rot. Bonds1

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

4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 107722296) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID107722296
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cc(O)ccc2O)c2ccccc2N1
InChIInChI=1S/C15H12N2O4/c18-9-5-6-13(19)10(7-9)15(21)17-8-14(20)16-11-3-1-2-4-12(11)17/h1-7,18-19H,8H2,(H,16,20)
InChIKeyMNJNFYJTVDQPDD-UHFFFAOYSA-N
XLogP1.70
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 28822405
4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 61059136
4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 79764947
4-(4-bromo-2-sulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107021932
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-[2-(3-hydroxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 61399698
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one (CID 107722296) is 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cc(O)ccc2O)c2ccccc2N1.
What is the InChIKey of 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is MNJNFYJTVDQPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-9-5-6-13(19)10(7-9)15(21)17-8-14(20)16-11-3-1-2-4-12(11)17/h1-7,18-19H,8H2,(H,16,20).
What are the key properties of 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 284.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 107722296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).