N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide

C30H25N3O — CID 16644401

IUPACN-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C30H25N3O/c1-3-21-16-10-11-20(2)27(21)33-30(34)24-17-18-25-26(19-24)32-29(23-14-8-5-9-15-23)28(31-25)22-12-6-4-7-13-22/h4-19H,3H2,1-2H3,(H,33,34)
InChIKeySBQCRYBLYKQASM-UHFFFAOYSA-N
MW443.55 g/mol
LogP7.09
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide

N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide (PubChem CID 16644401) has the molecular formula C30H25N3O and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
PubChem CID16644401
Molecular FormulaC30H25N3O
Molecular Weight443.55 g/mol
Exact Mass443.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C30H25N3O/c1-3-21-16-10-11-20(2)27(21)33-30(34)24-17-18-25-26(19-24)32-29(23-14-8-5-9-15-23)28(31-25)22-12-6-4-7-13-22/h4-19H,3H2,1-2H3,(H,33,34)
InChIKeySBQCRYBLYKQASM-UHFFFAOYSA-N
XLogP7.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451251
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 24697035

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide (CID 16644401) is N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide?
The InChIKey is SBQCRYBLYKQASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O/c1-3-21-16-10-11-20(2)27(21)33-30(34)24-17-18-25-26(19-24)32-29(23-14-8-5-9-15-23)28(31-25)22-12-6-4-7-13-22/h4-19H,3H2,1-2H3,(H,33,34).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide?
N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2,3-diphenylquinoxaline-6-carboxamide is sourced from PubChem (CID 16644401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).