1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide

C20H21N3O2 — CID 9455424

IUPAC1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C20H21N3O2/c1-4-23-18-10-9-16(11-17(18)22-14(3)20(23)25)19(24)21-12-15-7-5-13(2)6-8-15/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyPCTNZAHVLQOWEP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.96
Rot. Bonds4

About 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide

1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide (PubChem CID 9455424) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
PubChem CID9455424
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C20H21N3O2/c1-4-23-18-10-9-16(11-17(18)22-14(3)20(23)25)19(24)21-12-15-7-5-13(2)6-8-15/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyPCTNZAHVLQOWEP-UHFFFAOYSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 53058290
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 31563164
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532
1-ethyl-3-methyl-2-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 31954457
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 30094301
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
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-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 9489188
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064834
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide (CID 9455424) is 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(C)cc3)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide?
The InChIKey is PCTNZAHVLQOWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-23-18-10-9-16(11-17(18)22-14(3)20(23)25)19(24)21-12-15-7-5-13(2)6-8-15/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of 1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide?
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.96, 4 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-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 9455424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).