2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline

C12H18N2O — CID 84620800

IUPAC2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CN(C)c2cc(OC)ccc2N1
InChIInChI=1S/C12H18N2O/c1-4-9-8-14(2)12-7-10(15-3)5-6-11(12)13-9/h5-7,9,13H,4,8H2,1-3H3
InChIKeyPABSTVMQYOSBQA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.34
Rot. Bonds2

About 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline

2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 84620800) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID84620800
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCC1CN(C)c2cc(OC)ccc2N1
InChIInChI=1S/C12H18N2O/c1-4-9-8-14(2)12-7-10(15-3)5-6-11(12)13-9/h5-7,9,13H,4,8H2,1-3H3
InChIKeyPABSTVMQYOSBQA-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-methyl-6-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623191
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
(2-bromo-5-methoxyphenyl)-(3-ethyl-6,7-dimethyl-3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 141102039
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
2,5-diethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620474
7-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinolin-3-amine
CID 83833452
1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739877
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
CID 86340464
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115040747

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline (CID 84620800) is 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline is CCC1CN(C)c2cc(OC)ccc2N1.
What is the InChIKey of 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is PABSTVMQYOSBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-9-8-14(2)12-7-10(15-3)5-6-11(12)13-9/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline?
2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 206.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84620800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).