N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide

C17H18N4O3S — CID 17252021

IUPACN-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1cccs1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C17H18N4O3S/c1-19(2)11-9-13-12(20(3)16(23)17(24)21(13)4)8-10(11)18-15(22)14-6-5-7-25-14/h5-9H,1-4H3,(H,18,22)
InChIKeyBJJDOFQEANWKFE-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.62
Rot. Bonds3

About N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide

N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide (PubChem CID 17252021) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
PubChem CID17252021
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1cccs1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C17H18N4O3S/c1-19(2)11-9-13-12(20(3)16(23)17(24)21(13)4)8-10(11)18-15(22)14-6-5-7-25-14/h5-9H,1-4H3,(H,18,22)
InChIKeyBJJDOFQEANWKFE-UHFFFAOYSA-N
XLogP1.62
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 50792193
(2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide
CID 97445577
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide
CID 122244007
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745
N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 3231706
N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide
CID 3600207
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521

Frequently Asked Questions

What is the IUPAC name of N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide?
The IUPAC name of N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide (CID 17252021) is N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide is CN(C)c1cc2c(cc1NC(=O)c1cccs1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide?
The InChIKey is BJJDOFQEANWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-19(2)11-9-13-12(20(3)16(23)17(24)21(13)4)8-10(11)18-15(22)14-6-5-7-25-14/h5-9H,1-4H3,(H,18,22).
What are the key properties of N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide?
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 17252021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).