7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile

C17H15ClN6 — CID 56952332

IUPAC7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile
SMILESCCNc1nc2cc(Cl)c(C#N)cc2nc1NCc1cccnc1
InChIInChI=1S/C17H15ClN6/c1-2-21-16-17(22-10-11-4-3-5-20-9-11)23-14-6-12(8-19)13(18)7-15(14)24-16/h3-7,9H,2,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyXATJLMLNXUCHSW-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.59
Rot. Bonds5

About 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile

7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile (PubChem CID 56952332) has the molecular formula C17H15ClN6 and a molecular weight of 338.80 g/mol. Its IUPAC name is 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile
PubChem CID56952332
Molecular FormulaC17H15ClN6
Molecular Weight338.80 g/mol
Exact Mass338.10
IUPAC Name7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile
SMILESCCNc1nc2cc(Cl)c(C#N)cc2nc1NCc1cccnc1
InChIInChI=1S/C17H15ClN6/c1-2-21-16-17(22-10-11-4-3-5-20-9-11)23-14-6-12(8-19)13(18)7-15(14)24-16/h3-7,9H,2,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyXATJLMLNXUCHSW-UHFFFAOYSA-N
XLogP3.59
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile?
The IUPAC name of 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile (CID 56952332) is 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile.
What is the SMILES notation for 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile?
The canonical SMILES for 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile is CCNc1nc2cc(Cl)c(C#N)cc2nc1NCc1cccnc1.
What is the InChIKey of 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile?
The InChIKey is XATJLMLNXUCHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6/c1-2-21-16-17(22-10-11-4-3-5-20-9-11)23-14-6-12(8-19)13(18)7-15(14)24-16/h3-7,9H,2,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile?
7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile has a molecular weight of 338.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(ethylamino)-3-(pyridin-3-ylmethylamino)quinoxaline-6-carbonitrile is sourced from PubChem (CID 56952332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).