N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C20H26N4O3 — CID 51126889

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1ccco1
InChIInChI=1S/C20H26N4O3/c1-4-24(5-2)17(18-7-6-10-27-18)12-21-20(26)14-8-9-16-15(11-14)22-19(25)13-23(16)3/h6-11,17H,4-5,12-13H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyWJDVRQFUSFINQZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.48
Rot. Bonds7

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 51126889) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID51126889
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1ccco1
InChIInChI=1S/C20H26N4O3/c1-4-24(5-2)17(18-7-6-10-27-18)12-21-20(26)14-8-9-16-15(11-14)22-19(25)13-23(16)3/h6-11,17H,4-5,12-13H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyWJDVRQFUSFINQZ-UHFFFAOYSA-N
XLogP2.48
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 51126901
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 51092263
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51095697
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94819543
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86853165
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125178998
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51126896
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 120830743
4-chloro-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 138034235
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 51126889) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CCN(CC)C(CNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is WJDVRQFUSFINQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-24(5-2)17(18-7-6-10-27-18)12-21-20(26)14-8-9-16-15(11-14)22-19(25)13-23(16)3/h6-11,17H,4-5,12-13H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 51126889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).