N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide

C13H13N3O3 — CID 12061902

IUPACN-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide
SMILESCCNC(=O)c1cnc2cc3c(cc2n1)OCCO3
InChIInChI=1S/C13H13N3O3/c1-2-14-13(17)10-7-15-8-5-11-12(6-9(8)16-10)19-4-3-18-11/h5-7H,2-4H2,1H3,(H,14,17)
InChIKeyBRJWIFNJSJSZOM-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.15
Rot. Bonds2

About N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide

N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide (PubChem CID 12061902) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide
PubChem CID12061902
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide
SMILESCCNC(=O)c1cnc2cc3c(cc2n1)OCCO3
InChIInChI=1S/C13H13N3O3/c1-2-14-13(17)10-7-15-8-5-11-12(6-9(8)16-10)19-4-3-18-11/h5-7H,2-4H2,1H3,(H,14,17)
InChIKeyBRJWIFNJSJSZOM-UHFFFAOYSA-N
XLogP1.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 90664604
N-[2-(dipropylamino)ethyl]-6-iodoquinoxaline-2-carboxamide;dihydrochloride
CID 158767738
N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
CID 158106861
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 56712088
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277250
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoxaline-2-carboxylate
CID 55373473
5-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 109288431
2-(2-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butanoic acid
CID 82145806
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methylpyrazine-2-carboxamide
CID 18121973
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide?
The IUPAC name of N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide (CID 12061902) is N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide.
What is the SMILES notation for N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide?
The canonical SMILES for N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide is CCNC(=O)c1cnc2cc3c(cc2n1)OCCO3.
What is the InChIKey of N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide?
The InChIKey is BRJWIFNJSJSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-2-14-13(17)10-7-15-8-5-11-12(6-9(8)16-10)19-4-3-18-11/h5-7H,2-4H2,1H3,(H,14,17).
What are the key properties of N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide?
N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline-7-carboxamide is sourced from PubChem (CID 12061902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).