(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one

C10H12N2O3 — CID 166462052

IUPAC(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)[C@@H](CO)N2
InChIInChI=1S/C10H12N2O3/c1-15-6-2-3-7-8(4-6)12-10(14)9(5-13)11-7/h2-4,9,11,13H,5H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyONRYKBIMUDZCKG-SECBINFHSA-N
MW208.22 g/mol
LogP0.42
Rot. Bonds2

About (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one

(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 166462052) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID166462052
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)[C@@H](CO)N2
InChIInChI=1S/C10H12N2O3/c1-15-6-2-3-7-8(4-6)12-10(14)9(5-13)11-7/h2-4,9,11,13H,5H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyONRYKBIMUDZCKG-SECBINFHSA-N
XLogP0.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one (CID 166462052) is (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one is COc1ccc2c(c1)NC(=O)[C@@H](CO)N2.
What is the InChIKey of (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is ONRYKBIMUDZCKG-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-6-2-3-7-8(4-6)12-10(14)9(5-13)11-7/h2-4,9,11,13H,5H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 166462052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).