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

C19H23N5O2 — CID 56952117

IUPAC2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccccn1
InChIInChI=1S/C19H23N5O2/c1-4-20-18-19(22-10-8-13-7-5-6-9-21-13)24-15-12-17(26-3)16(25-2)11-14(15)23-18/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyLXHGMWGZQRZOTI-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.13
Rot. Bonds8

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

2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine (PubChem CID 56952117) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine
PubChem CID56952117
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine
SMILESCCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccccn1
InChIInChI=1S/C19H23N5O2/c1-4-20-18-19(22-10-8-13-7-5-6-9-21-13)24-15-12-17(26-3)16(25-2)11-14(15)23-18/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyLXHGMWGZQRZOTI-UHFFFAOYSA-N
XLogP3.13
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.13
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-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine (CID 56952117) is 2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine is CCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccccn1.
What is the InChIKey of 2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine?
The InChIKey is LXHGMWGZQRZOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-20-18-19(22-10-8-13-7-5-6-9-21-13)24-15-12-17(26-3)16(25-2)11-14(15)23-18/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of 2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine?
2-N-ethyl-6,7-dimethoxy-3-N-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine has a molecular weight of 353.43 g/mol, XLogP of 3.13, 8 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-(2-pyridin-2-ylethyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 56952117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).