2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate

C17H14N2O4 — CID 163955850

IUPAC2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate
SMILESO=C(OCCc1ccccc1)c1cnc2cc(O)c(O)cc2n1
InChIInChI=1S/C17H14N2O4/c20-15-8-12-13(9-16(15)21)19-14(10-18-12)17(22)23-7-6-11-4-2-1-3-5-11/h1-5,8-10,20-21H,6-7H2
InChIKeySDHMIHFCQQUCOM-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.44
Rot. Bonds4

About 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate

2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate (PubChem CID 163955850) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate.

Molecular Properties

Compound Name2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate
PubChem CID163955850
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate
SMILESO=C(OCCc1ccccc1)c1cnc2cc(O)c(O)cc2n1
InChIInChI=1S/C17H14N2O4/c20-15-8-12-13(9-16(15)21)19-14(10-18-12)17(22)23-7-6-11-4-2-1-3-5-11/h1-5,8-10,20-21H,6-7H2
InChIKeySDHMIHFCQQUCOM-UHFFFAOYSA-N
XLogP2.44
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl 6,7-dihydroxyisoquinoline-3-carboxylate
CID 135493881
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
bis(2-phenylethyl) pyridine-2,4-dicarboxylate
CID 69102039
ethyl quinoxaline-2-carboxylate
CID 582701
2-phenylethyl 4-hydroxybenzoate
CID 11977778
2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate
CID 170550057
2-phenylethyl 2-(3,4-dihydroxyphenyl)acetate
CID 138558195
2-phenylethyl 3-(methylsulfinylmethyl)benzoate
CID 134003713
3-phenylpropyl 4-chloropyridine-2-carboxylate
CID 60656407
2-phenylethyl 2-amino-5-iodobenzoate
CID 44829093
2-phenylethyl acetate
CID 7654
2-phenylethyl 2-aminoprop-2-enoate
CID 19357551

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate?
The IUPAC name of 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate (CID 163955850) is 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate.
What is the SMILES notation for 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate?
The canonical SMILES for 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate is O=C(OCCc1ccccc1)c1cnc2cc(O)c(O)cc2n1.
What is the InChIKey of 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate?
The InChIKey is SDHMIHFCQQUCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-15-8-12-13(9-16(15)21)19-14(10-18-12)17(22)23-7-6-11-4-2-1-3-5-11/h1-5,8-10,20-21H,6-7H2.
What are the key properties of 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate?
2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate is sourced from PubChem (CID 163955850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).