N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

C21H17N3O2S — CID 53377430

IUPACN-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H17N3O2S/c1-12-10-16-17(11-13(12)2)24-21(26)19(22-16)14-6-3-4-7-15(14)23-20(25)18-8-5-9-27-18/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyZVIDSTBQVSGQBD-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.52
Rot. Bonds3

About N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide

N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 53377430) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID53377430
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H17N3O2S/c1-12-10-16-17(11-13(12)2)24-21(26)19(22-16)14-6-3-4-7-15(14)23-20(25)18-8-5-9-27-18/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyZVIDSTBQVSGQBD-UHFFFAOYSA-N
XLogP4.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide
CID 53377448
HDAC inhibitor, Compound 1
CID 6918878
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-(3,4-dimethylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]thiophene-2-carboxamide
CID 1395591
N-(2-amino-5-(thiophen-2-yl)phenyl)-4-((diisopropylphosphoryl)methyl)benzamide
CID 25012006
N-(2-amino-5-(thiophen-2-yl)phenyl)-4-((diethylphosphoryl)methyl)benzamide
CID 25012007
N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(propionamidomethyl)benzamide
CID 25157071
N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(butyramidomethyl)benzamide
CID 25157072
N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(cyclohexanecarboxamidomethyl)benzamide
CID 25157370
N-[2-amino-5-(2-thienyl)phenyl]benzamide
CID 44454144

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide (CID 53377430) is N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is Cc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is ZVIDSTBQVSGQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-12-10-16-17(11-13(12)2)24-21(26)19(22-16)14-6-3-4-7-15(14)23-20(25)18-8-5-9-27-18/h3-11H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide?
N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 53377430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).