N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide

C17H19N5O2 — CID 50971783

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C17H19N5O2/c1-21-11-13(9-19-21)12-22(7-8-24-2)17(23)16-10-18-14-5-3-4-6-15(14)20-16/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyXFKRPRGWVMDZTA-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.65
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide (PubChem CID 50971783) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide
PubChem CID50971783
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C17H19N5O2/c1-21-11-13(9-19-21)12-22(7-8-24-2)17(23)16-10-18-14-5-3-4-6-15(14)20-16/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyXFKRPRGWVMDZTA-UHFFFAOYSA-N
XLogP1.65
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide (CID 50971783) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide?
The InChIKey is XFKRPRGWVMDZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-11-13(9-19-21)12-22(7-8-24-2)17(23)16-10-18-14-5-3-4-6-15(14)20-16/h3-6,9-11H,7-8,12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 50971783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).