2-methoxy-3,4-dihydroquinoxalin-5-ol

C9H10N2O2 — CID 130382326

IUPAC2-methoxy-3,4-dihydroquinoxalin-5-ol
SMILESCOC1=Nc2cccc(O)c2NC1
InChIInChI=1S/C9H10N2O2/c1-13-8-5-10-9-6(11-8)3-2-4-7(9)12/h2-4,10,12H,5H2,1H3
InChIKeyCXGKEOKVLCYJMJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.49
Rot. Bonds

About 2-methoxy-3,4-dihydroquinoxalin-5-ol

2-methoxy-3,4-dihydroquinoxalin-5-ol (PubChem CID 130382326) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methoxy-3,4-dihydroquinoxalin-5-ol.

Molecular Properties

Compound Name2-methoxy-3,4-dihydroquinoxalin-5-ol
PubChem CID130382326
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-methoxy-3,4-dihydroquinoxalin-5-ol
SMILESCOC1=Nc2cccc(O)c2NC1
InChIInChI=1S/C9H10N2O2/c1-13-8-5-10-9-6(11-8)3-2-4-7(9)12/h2-4,10,12H,5H2,1H3
InChIKeyCXGKEOKVLCYJMJ-UHFFFAOYSA-N
XLogP1.49
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-Trimethyl-1,3-dihydro-1,5-benzodiazepin-6-ol
CID 49851281
5-Hydroxy-1,3-dimethyl-1,2-dihydroquinoxalin-2-one
CID 15801299
5-methyl-10H-phenazin-1-ol
CID 439562
4-Methyl-1,2,3,4-tetrahydroquinoxalin-5-ol dihydrochloride
CID 155820248
2,5-Dihydroxyphenyl-ethylamine
CID 14453618
Quinoxaline-2,5-diol
CID 21865111
Quinoxaline-2,8-diol
CID 21865170
2,3-Bis(dimethylamino)phenol
CID 22357103
5-Hydroxy-3-methylquinoxalin-2(1H)-one
CID 45121576
4-Methyl-1,2,3,4-tetrahydroquinoxalin-5-ol
CID 115094963
2-(Methylamino)-3-nitrophenol
CID 3600720
3-Amino-2-(methylamino)phenol
CID 3772075

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-dihydroquinoxalin-5-ol?
The IUPAC name of 2-methoxy-3,4-dihydroquinoxalin-5-ol (CID 130382326) is 2-methoxy-3,4-dihydroquinoxalin-5-ol.
What is the SMILES notation for 2-methoxy-3,4-dihydroquinoxalin-5-ol?
The canonical SMILES for 2-methoxy-3,4-dihydroquinoxalin-5-ol is COC1=Nc2cccc(O)c2NC1.
What is the InChIKey of 2-methoxy-3,4-dihydroquinoxalin-5-ol?
The InChIKey is CXGKEOKVLCYJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-8-5-10-9-6(11-8)3-2-4-7(9)12/h2-4,10,12H,5H2,1H3.
What are the key properties of 2-methoxy-3,4-dihydroquinoxalin-5-ol?
2-methoxy-3,4-dihydroquinoxalin-5-ol has a molecular weight of 178.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-dihydroquinoxalin-5-ol is sourced from PubChem (CID 130382326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).