quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone

C15H10N2O4 — CID 136707547

IUPACquinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H10N2O4/c18-12-5-8(6-13(19)15(12)21)14(20)11-7-16-9-3-1-2-4-10(9)17-11/h1-7,18-19,21H
InChIKeyZFYUBWXZQYUOQP-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.98
Rot. Bonds2

About quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone

quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone (PubChem CID 136707547) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone.

Molecular Properties

Compound Namequinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone
PubChem CID136707547
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Namequinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone
SMILESO=C(c1cc(O)c(O)c(O)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H10N2O4/c18-12-5-8(6-13(19)15(12)21)14(20)11-7-16-9-3-1-2-4-10(9)17-11/h1-7,18-19,21H
InChIKeyZFYUBWXZQYUOQP-UHFFFAOYSA-N
XLogP1.98
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-propylphenyl)-quinoxalin-2-ylmethanone
CID 107356711
N'-(5-chloro-2-hydroxybenzoyl)quinoxaline-2-carbohydrazide
CID 55468262
quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone
CID 107356717
cyclohepten-1-yl(quinoxalin-2-yl)methanone
CID 107356849
2-[(E)-1-fluoroprop-1-enyl]quinoxaline
CID 173227234
quinoxalin-2-yl quinoxaline-2-carboxylate
CID 177101519
(2Z)-2-hydroxyimino-1-quinoxalin-2-ylethanone
CID 27191067
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
1-quinoxalin-2-ylbutan-1-one
CID 14895791
2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone
CID 107356679
ethyl quinoxaline-2-carboxylate
CID 582701
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970

Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone?
The IUPAC name of quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone (CID 136707547) is quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone.
What is the SMILES notation for quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone?
The canonical SMILES for quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone is O=C(c1cc(O)c(O)c(O)c1)c1cnc2ccccc2n1.
What is the InChIKey of quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone?
The InChIKey is ZFYUBWXZQYUOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-12-5-8(6-13(19)15(12)21)14(20)11-7-16-9-3-1-2-4-10(9)17-11/h1-7,18-19,21H.
What are the key properties of quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone?
quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone has a molecular weight of 282.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone is sourced from PubChem (CID 136707547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).