2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C20H17N5O — CID 917259

IUPAC2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCOc1ccccc1CCn1c(N)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C20H17N5O/c1-26-17-9-5-2-6-13(17)10-11-25-19(22)14(12-21)18-20(25)24-16-8-4-3-7-15(16)23-18/h2-9H,10-11,22H2,1H3
InChIKeyMCODXNLQEZFFRX-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.29
Rot. Bonds4

About 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 917259) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID917259
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCOc1ccccc1CCn1c(N)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C20H17N5O/c1-26-17-9-5-2-6-13(17)10-11-25-19(22)14(12-21)18-20(25)24-16-8-4-3-7-15(16)23-18/h2-9H,10-11,22H2,1H3
InChIKeyMCODXNLQEZFFRX-UHFFFAOYSA-N
XLogP3.29
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 917259) is 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile is COc1ccccc1CCn1c(N)c(C#N)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is MCODXNLQEZFFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-26-17-9-5-2-6-13(17)10-11-25-19(22)14(12-21)18-20(25)24-16-8-4-3-7-15(16)23-18/h2-9H,10-11,22H2,1H3.
What are the key properties of 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 917259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).