1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide

C22H22N6O2 — CID 41013801

IUPAC1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)ccc21
InChIInChI=1S/C22H22N6O2/c1-4-27-20-10-7-17(11-19(20)25-15(3)22(27)30)21(29)26-14(2)16-5-8-18(9-6-16)28-13-23-12-24-28/h5-14H,4H2,1-3H3,(H,26,29)/t14-/m0/s1
InChIKeyJMGVEQANKBUNIJ-AWEZNQCLSA-N
MW402.46 g/mol
LogP2.80
Rot. Bonds5

About 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide

1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide (PubChem CID 41013801) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide
PubChem CID41013801
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)ccc21
InChIInChI=1S/C22H22N6O2/c1-4-27-20-10-7-17(11-19(20)25-15(3)22(27)30)21(29)26-14(2)16-5-8-18(9-6-16)28-13-23-12-24-28/h5-14H,4H2,1-3H3,(H,26,29)/t14-/m0/s1
InChIKeyJMGVEQANKBUNIJ-AWEZNQCLSA-N
XLogP2.80
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide with MolForge

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Related Compounds

1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
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-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
2-ethyl-4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 94344688
2-methyl-1,3-dioxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 39964916
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7581021
2-(ethylamino)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 97138534
3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide (CID 41013801) is 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide?
The InChIKey is JMGVEQANKBUNIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-4-27-20-10-7-17(11-19(20)25-15(3)22(27)30)21(29)26-14(2)16-5-8-18(9-6-16)28-13-23-12-24-28/h5-14H,4H2,1-3H3,(H,26,29)/t14-/m0/s1.
What are the key properties of 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide?
1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 41013801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).