4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide

C18H17N3O2 — CID 46249419

IUPAC4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H17N3O2/c1-3-21-15-7-5-4-6-14(15)20-16(18(21)23)17(22)19-13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyYYHHYJXLUSAOAF-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.98
Rot. Bonds3

About 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide

4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide (PubChem CID 46249419) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
PubChem CID46249419
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H17N3O2/c1-3-21-15-7-5-4-6-14(15)20-16(18(21)23)17(22)19-13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyYYHHYJXLUSAOAF-UHFFFAOYSA-N
XLogP2.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365060
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808141
4-(3-oxo-4-propylquinoxalin-2-yl)-N-phenylbenzamide
CID 50838506
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide
CID 46365084
N-(4-acetamidophenyl)-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 50838498
N-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976122
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide (CID 46249419) is 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide?
The InChIKey is YYHHYJXLUSAOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-21-15-7-5-4-6-14(15)20-16(18(21)23)17(22)19-13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide?
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46249419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).