methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate

C16H13N3O3 — CID 136699990

IUPACmethyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate
SMILESCOC(=O)c1ccc(Nc2cnc3ccccc3n2)c(O)c1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)10-6-7-13(14(20)8-10)19-15-9-17-11-4-2-3-5-12(11)18-15/h2-9,20H,1H3,(H,18,19)
InChIKeyUUUHMZAOMPTPEI-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.87
Rot. Bonds3

About methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate

methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate (PubChem CID 136699990) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate
PubChem CID136699990
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Namemethyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate
SMILESCOC(=O)c1ccc(Nc2cnc3ccccc3n2)c(O)c1
InChIInChI=1S/C16H13N3O3/c1-22-16(21)10-6-7-13(14(20)8-10)19-15-9-17-11-4-2-3-5-12(11)18-15/h2-9,20H,1H3,(H,18,19)
InChIKeyUUUHMZAOMPTPEI-UHFFFAOYSA-N
XLogP2.87
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate 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

methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-hydroxybenzoate
CID 108778109
methyl phenazine-2-carboxylate
CID 617185
methyl 3-hydroxy-4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzoate
CID 108778108
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 4-hydrazinyl-3-hydroxybenzoate
CID 70230568
methyl 3-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278653
methyl 4-formamido-3-hydroxybenzoate
CID 91622889
methyl 4-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-3-hydroxybenzoate
CID 108778120
methyl 4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoate
CID 108744837
methyl 4-quinazolin-2-ylbenzoate
CID 156769419
methyl 3-hydroxy-4-[[6-(3-nitrophenyl)pyridazin-3-yl]amino]benzoate
CID 136699981
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
CID 108767103

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate?
The IUPAC name of methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate (CID 136699990) is methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate.
What is the SMILES notation for methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate?
The canonical SMILES for methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate is COC(=O)c1ccc(Nc2cnc3ccccc3n2)c(O)c1.
What is the InChIKey of methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate?
The InChIKey is UUUHMZAOMPTPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-16(21)10-6-7-13(14(20)8-10)19-15-9-17-11-4-2-3-5-12(11)18-15/h2-9,20H,1H3,(H,18,19).
What are the key properties of methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate?
methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate has a molecular weight of 295.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate is sourced from PubChem (CID 136699990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).