N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide

C17H15N3O — CID 858922

IUPACN-(2,4-dimethylphenyl)quinoxaline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nccnc3c2)c(C)c1
InChIInChI=1S/C17H15N3O/c1-11-3-5-14(12(2)9-11)20-17(21)13-4-6-15-16(10-13)19-8-7-18-15/h3-10H,1-2H3,(H,20,21)
InChIKeyMXISCXPCMAOWBO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.50
Rot. Bonds2

About N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide

N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide (PubChem CID 858922) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)quinoxaline-6-carboxamide
PubChem CID858922
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(2,4-dimethylphenyl)quinoxaline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nccnc3c2)c(C)c1
InChIInChI=1S/C17H15N3O/c1-11-3-5-14(12(2)9-11)20-17(21)13-4-6-15-16(10-13)19-8-7-18-15/h3-10H,1-2H3,(H,20,21)
InChIKeyMXISCXPCMAOWBO-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide (CID 858922) is N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide is Cc1ccc(NC(=O)c2ccc3nccnc3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide?
The InChIKey is MXISCXPCMAOWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-3-5-14(12(2)9-11)20-17(21)13-4-6-15-16(10-13)19-8-7-18-15/h3-10H,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide?
N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 858922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).