1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide

C19H27N3O2 — CID 24659166

IUPAC1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NC(C)CCC(C)C)ccc21
InChIInChI=1S/C19H27N3O2/c1-6-22-17-10-9-15(11-16(17)21-14(5)19(22)24)18(23)20-13(4)8-7-12(2)3/h9-13H,6-8H2,1-5H3,(H,20,23)
InChIKeyAFDIPGKLPAPKOD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.28
Rot. Bonds6

About 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide

1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide (PubChem CID 24659166) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
PubChem CID24659166
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NC(C)CCC(C)C)ccc21
InChIInChI=1S/C19H27N3O2/c1-6-22-17-10-9-15(11-16(17)21-14(5)19(22)24)18(23)20-13(4)8-7-12(2)3/h9-13H,6-8H2,1-5H3,(H,20,23)
InChIKeyAFDIPGKLPAPKOD-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7581021
1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide
CID 41013801
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064796

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide (CID 24659166) is 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)NC(C)CCC(C)C)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide?
The InChIKey is AFDIPGKLPAPKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-22-17-10-9-15(11-16(17)21-14(5)19(22)24)18(23)20-13(4)8-7-12(2)3/h9-13H,6-8H2,1-5H3,(H,20,23).
What are the key properties of 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide?
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 24659166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).