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

C18H17N3O — CID 2501545

IUPACN-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3nccnc3c2)c(C)c1
InChIInChI=1S/C18H17N3O/c1-11-8-12(2)17(13(3)9-11)21-18(22)14-4-5-15-16(10-14)20-7-6-19-15/h4-10H,1-3H3,(H,21,22)
InChIKeyZNLVIGHPYLHYBB-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.81
Rot. Bonds2

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

N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide (PubChem CID 2501545) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide
PubChem CID2501545
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3nccnc3c2)c(C)c1
InChIInChI=1S/C18H17N3O/c1-11-8-12(2)17(13(3)9-11)21-18(22)14-4-5-15-16(10-14)20-7-6-19-15/h4-10H,1-3H3,(H,21,22)
InChIKeyZNLVIGHPYLHYBB-UHFFFAOYSA-N
XLogP3.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Quinoxalin-6-ylcarbonyl)piperidine
CID 148184
IWR-1-endo
CID 44483163
15-Pgdh-IN-1
CID 135300446
4-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567125
4-[3-(8-Methyl-4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567126
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
Naphtho(3,2-F)quinoxaline-7,12-dione
CID 12567021
N-(6-methyl-2-pyridinyl)-6-quinoxalinecarboxamide
CID 829895
IWR-1-exo
CID 1163034
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide (CID 2501545) is N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide is Cc1cc(C)c(NC(=O)c2ccc3nccnc3c2)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide?
The InChIKey is ZNLVIGHPYLHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-8-12(2)17(13(3)9-11)21-18(22)14-4-5-15-16(10-14)20-7-6-19-15/h4-10H,1-3H3,(H,21,22).
What are the key properties of N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide?
N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2501545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).