7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline

C11H15BrN2 — CID 115095634

IUPAC7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCN1c2ccc(Br)cc2NCC1C
InChIInChI=1S/C11H15BrN2/c1-3-14-8(2)7-13-10-6-9(12)4-5-11(10)14/h4-6,8,13H,3,7H2,1-2H3
InChIKeyWICRFNDOQJTGMM-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.09
Rot. Bonds1

About 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline

7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115095634) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115095634
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCN1c2ccc(Br)cc2NCC1C
InChIInChI=1S/C11H15BrN2/c1-3-14-8(2)7-13-10-6-9(12)4-5-11(10)14/h4-6,8,13H,3,7H2,1-2H3
InChIKeyWICRFNDOQJTGMM-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115095571
8-bromo-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
CID 70978879
(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
7-bromo-4-ethylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097468
6-bromo-4-ethyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 115095687
(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115096618
(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine
CID 115096491
4-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318441
(3S)-8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654800
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
8-bromo-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 70654802
(2S)-6-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 99716164

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115095634) is 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline is CCN1c2ccc(Br)cc2NCC1C.
What is the InChIKey of 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is WICRFNDOQJTGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-3-14-8(2)7-13-10-6-9(12)4-5-11(10)14/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline?
7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 255.16 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115095634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).