1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide

C18H21N5O2 — CID 24655019

IUPAC1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)Nc3c(C)nn(C)c3C)ccc21
InChIInChI=1S/C18H21N5O2/c1-6-23-15-8-7-13(9-14(15)19-11(3)18(23)25)17(24)20-16-10(2)21-22(5)12(16)4/h7-9H,6H2,1-5H3,(H,20,24)
InChIKeyNQWFVWGUIGDYHD-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.33
Rot. Bonds3

About 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide

1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide (PubChem CID 24655019) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
PubChem CID24655019
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)Nc3c(C)nn(C)c3C)ccc21
InChIInChI=1S/C18H21N5O2/c1-6-23-15-8-7-13(9-14(15)19-11(3)18(23)25)17(24)20-16-10(2)21-22(5)12(16)4/h7-9H,6H2,1-5H3,(H,20,24)
InChIKeyNQWFVWGUIGDYHD-UHFFFAOYSA-N
XLogP2.33
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058291
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 53058290
1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7579696
1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 166236492
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide (CID 24655019) is 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)Nc3c(C)nn(C)c3C)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide?
The InChIKey is NQWFVWGUIGDYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-6-23-15-8-7-13(9-14(15)19-11(3)18(23)25)17(24)20-16-10(2)21-22(5)12(16)4/h7-9H,6H2,1-5H3,(H,20,24).
What are the key properties of 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide?
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 24655019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).