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

C19H22N4O3S — CID 50792193

IUPACN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)c1cccs1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C19H22N4O3S/c1-5-23(6-2)13-11-15-14(21(3)18(25)19(26)22(15)4)10-12(13)20-17(24)16-8-7-9-27-16/h7-11H,5-6H2,1-4H3,(H,20,24)
InChIKeyMXLBMHGMIUIUDB-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.40
Rot. Bonds5

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

N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide (PubChem CID 50792193) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
PubChem CID50792193
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)c1cccs1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C19H22N4O3S/c1-5-23(6-2)13-11-15-14(21(3)18(25)19(26)22(15)4)10-12(13)20-17(24)16-8-7-9-27-16/h7-11H,5-6H2,1-4H3,(H,20,24)
InChIKeyMXLBMHGMIUIUDB-UHFFFAOYSA-N
XLogP2.40
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.40
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-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 17252021
4-[butyl(ethyl)amino]-3-(thiophene-2-carbonylamino)benzoic acid
CID 53052985
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]thiophene-2-carboxamide
CID 2211703
4-[bis(2-methylpropyl)amino]-3-(thiophene-2-carbonylamino)benzoic acid
CID 53052986
N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 3231706
N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
CID 863526
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide
CID 122244007
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
N-[(2R)-butan-2-yl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999172
N-butan-2-yl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 56686277
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide
CID 50792075
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873

Frequently Asked Questions

What is the IUPAC name of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide?
The IUPAC name of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide (CID 50792193) is N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide is CCN(CC)c1cc2c(cc1NC(=O)c1cccs1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide?
The InChIKey is MXLBMHGMIUIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-5-23(6-2)13-11-15-14(21(3)18(25)19(26)22(15)4)10-12(13)20-17(24)16-8-7-9-27-16/h7-11H,5-6H2,1-4H3,(H,20,24).
What are the key properties of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide?
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 50792193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).