N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide

C20H21N3O2 — CID 46249288

IUPACN-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nc3cc(C)c(C)cc3n(C)c2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-5-14-6-8-15(9-7-14)21-19(24)18-20(25)23(4)17-11-13(3)12(2)10-16(17)22-18/h6-11H,5H2,1-4H3,(H,21,24)
InChIKeyVPVVGUNQRUWCAW-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.37
Rot. Bonds3

About N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide

N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46249288) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46249288
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nc3cc(C)c(C)cc3n(C)c2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-5-14-6-8-15(9-7-14)21-19(24)18-20(25)23(4)17-11-13(3)12(2)10-16(17)22-18/h6-11H,5H2,1-4H3,(H,21,24)
InChIKeyVPVVGUNQRUWCAW-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249302
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249297
2,4-dimethyl-3-[(4,6,7-trimethyl-3-oxoquinoxaline-2-carbonyl)amino]benzoic acid
CID 176885160
N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305
N-(4-ethylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779889
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260
N-(4-methylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324586
N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249264
N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324557
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365046

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide (CID 46249288) is N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide is CCc1ccc(NC(=O)c2nc3cc(C)c(C)cc3n(C)c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is VPVVGUNQRUWCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-5-14-6-8-15(9-7-14)21-19(24)18-20(25)23(4)17-11-13(3)12(2)10-16(17)22-18/h6-11H,5H2,1-4H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46249288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).