2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine

C18H21N5O2 — CID 56952111

IUPAC2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(OC)cc2nc1NCc1cccnc1
InChIInChI=1S/C18H21N5O2/c1-4-20-17-18(21-11-12-6-5-7-19-10-12)23-14-9-16(25-3)15(24-2)8-13(14)22-17/h5-10H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCMRKVNNHSDMTIK-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.09
Rot. Bonds7

About 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine

2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine (PubChem CID 56952111) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
PubChem CID56952111
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(OC)cc2nc1NCc1cccnc1
InChIInChI=1S/C18H21N5O2/c1-4-20-17-18(21-11-12-6-5-7-19-10-12)23-14-9-16(25-3)15(24-2)8-13(14)22-17/h5-10H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCMRKVNNHSDMTIK-UHFFFAOYSA-N
XLogP3.09
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine (CID 56952111) is 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine is CCNc1nc2cc(OC)c(OC)cc2nc1NCc1cccnc1.
What is the InChIKey of 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine?
The InChIKey is CMRKVNNHSDMTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-20-17-18(21-11-12-6-5-7-19-10-12)23-14-9-16(25-3)15(24-2)8-13(14)22-17/h5-10H,4,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine?
2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine has a molecular weight of 339.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6,7-dimethoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 56952111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).