1-methyl-3,4-dihydro-2H-quinoxalin-5-ol

C9H12N2O — CID 115094785

IUPAC1-methyl-3,4-dihydro-2H-quinoxalin-5-ol
SMILESCN1CCNc2c(O)cccc21
InChIInChI=1S/C9H12N2O/c1-11-6-5-10-9-7(11)3-2-4-8(9)12/h2-4,10,12H,5-6H2,1H3
InChIKeyMBLBDKWAQBPQKA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.25
Rot. Bonds

About 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol

1-methyl-3,4-dihydro-2H-quinoxalin-5-ol (PubChem CID 115094785) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-quinoxalin-5-ol
PubChem CID115094785
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-methyl-3,4-dihydro-2H-quinoxalin-5-ol
SMILESCN1CCNc2c(O)cccc21
InChIInChI=1S/C9H12N2O/c1-11-6-5-10-9-7(11)3-2-4-8(9)12/h2-4,10,12H,5-6H2,1H3
InChIKeyMBLBDKWAQBPQKA-UHFFFAOYSA-N
XLogP1.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
CID 83839922
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-6-ol
CID 115015229
1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclohexane]-6-ol
CID 115099795
6-ethyl-1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 84618977
6-hydroxy-1-methylspiro[2,5-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-4-one
CID 115099559
(1-ethyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115095768
1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine
CID 115095772
1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82647084
7-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
CID 11961604
5-tert-butyl-8-chloro-4-methyl-2,3-dihydro-1H-quinoxaline
CID 147541141
4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol
CID 105456575
6-bromo-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115098413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol?
The IUPAC name of 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol (CID 115094785) is 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol is CN1CCNc2c(O)cccc21.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol?
The InChIKey is MBLBDKWAQBPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-6-5-10-9-7(11)3-2-4-8(9)12/h2-4,10,12H,5-6H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol?
1-methyl-3,4-dihydro-2H-quinoxalin-5-ol has a molecular weight of 164.21 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-2H-quinoxalin-5-ol is sourced from PubChem (CID 115094785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).