7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile

C13H14ClN5 — CID 56952331

IUPAC7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile
SMILESCCNc1nc2cc(Cl)c(C#N)cc2nc1NCC
InChIInChI=1S/C13H14ClN5/c1-3-16-12-13(17-4-2)19-11-6-9(14)8(7-15)5-10(11)18-12/h5-6H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBBIXVRMJCBOHCO-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.02
Rot. Bonds4

About 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile

7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile (PubChem CID 56952331) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile
PubChem CID56952331
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile
SMILESCCNc1nc2cc(Cl)c(C#N)cc2nc1NCC
InChIInChI=1S/C13H14ClN5/c1-3-16-12-13(17-4-2)19-11-6-9(14)8(7-15)5-10(11)18-12/h5-6H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBBIXVRMJCBOHCO-UHFFFAOYSA-N
XLogP3.02
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile?
The IUPAC name of 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile (CID 56952331) is 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile.
What is the SMILES notation for 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile?
The canonical SMILES for 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile is CCNc1nc2cc(Cl)c(C#N)cc2nc1NCC.
What is the InChIKey of 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile?
The InChIKey is BBIXVRMJCBOHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-3-16-12-13(17-4-2)19-11-6-9(14)8(7-15)5-10(11)18-12/h5-6H,3-4H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile?
7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile has a molecular weight of 275.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-bis(ethylamino)quinoxaline-6-carbonitrile is sourced from PubChem (CID 56952331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).