5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline

C24H15BrCl2N4O — CID 159079580

IUPAC5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline
SMILESClc1cc(-c2ccc3c(c2)CCO3)c2nccnc2c1.Clc1cc(Br)c2nccnc2c1
InChIInChI=1S/C16H11ClN2O.C8H4BrClN2/c17-12-8-13(16-14(9-12)18-4-5-19-16)10-1-2-15-11(7-10)3-6-20-15;9-6-3-5(10)4-7-8(6)12-2-1-11-7/h1-2,4-5,7-9H,3,6H2;1-4H
InChIKeyKARNDPWINRTVHG-UHFFFAOYSA-N
MW526.22 g/mol
LogP6.93
Rot. Bonds1

About 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline

5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline (PubChem CID 159079580) has the molecular formula C24H15BrCl2N4O and a molecular weight of 526.22 g/mol. Its IUPAC name is 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline.

Molecular Properties

Compound Name5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline
PubChem CID159079580
Molecular FormulaC24H15BrCl2N4O
Molecular Weight526.22 g/mol
Exact Mass523.98
IUPAC Name5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline
SMILESClc1cc(-c2ccc3c(c2)CCO3)c2nccnc2c1.Clc1cc(Br)c2nccnc2c1
InChIInChI=1S/C16H11ClN2O.C8H4BrClN2/c17-12-8-13(16-14(9-12)18-4-5-19-16)10-1-2-15-11(7-10)3-6-20-15;9-6-3-5(10)4-7-8(6)12-2-1-11-7/h1-2,4-5,7-9H,3,6H2;1-4H
InChIKeyKARNDPWINRTVHG-UHFFFAOYSA-N
XLogP6.93
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.22
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline with MolForge

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Related Compounds

4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
CID 105371530
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
CID 107663413
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
4-(2,3-dihydro-1-benzofuran-5-yl)-3-fluorophenol
CID 104545385
1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
CID 28902016
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365
10-bromo-7-chloro-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-bromo-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 159363074
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline?
The IUPAC name of 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline (CID 159079580) is 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline.
What is the SMILES notation for 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline?
The canonical SMILES for 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline is Clc1cc(-c2ccc3c(c2)CCO3)c2nccnc2c1.Clc1cc(Br)c2nccnc2c1.
What is the InChIKey of 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline?
The InChIKey is KARNDPWINRTVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O.C8H4BrClN2/c17-12-8-13(16-14(9-12)18-4-5-19-16)10-1-2-15-11(7-10)3-6-20-15;9-6-3-5(10)4-7-8(6)12-2-1-11-7/h1-2,4-5,7-9H,3,6H2;1-4H.
What are the key properties of 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline?
5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline has a molecular weight of 526.22 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline is sourced from PubChem (CID 159079580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).