7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline

C16H17BrN2 — CID 117006931

IUPAC7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline
SMILESCc1ccc(C)c(N2CCNc3cc(Br)ccc32)c1
InChIInChI=1S/C16H17BrN2/c1-11-3-4-12(2)16(9-11)19-8-7-18-14-10-13(17)5-6-15(14)19/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyZZDCUAXMDCFOFB-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.63
Rot. Bonds1

About 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline

7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 117006931) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline
PubChem CID117006931
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline
SMILESCc1ccc(C)c(N2CCNc3cc(Br)ccc32)c1
InChIInChI=1S/C16H17BrN2/c1-11-3-4-12(2)16(9-11)19-8-7-18-14-10-13(17)5-6-15(14)19/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyZZDCUAXMDCFOFB-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006928
4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006770
3-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline
CID 117031105
7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006314
5-(4-bromo-2-methylphenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 117015822
1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82380827
2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
CID 117031082
1-(4-bromo-2-methylphenyl)piperazine-2,3-dione
CID 117026260
4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline
CID 117006767
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830
4-[2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethyl]morpholine
CID 117006917
7-bromo-4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 117031103

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline (CID 117006931) is 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline is Cc1ccc(C)c(N2CCNc3cc(Br)ccc32)c1.
What is the InChIKey of 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is ZZDCUAXMDCFOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-3-4-12(2)16(9-11)19-8-7-18-14-10-13(17)5-6-15(14)19/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline?
7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 317.23 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117006931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).