7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione

C19H17N3O3 — CID 26681014

IUPAC7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C19H17N3O3/c1-2-21-16-8-7-13(11-14(16)20-17(23)19(21)25)18(24)22-10-9-12-5-3-4-6-15(12)22/h3-8,11H,2,9-10H2,1H3,(H,20,23)
InChIKeyNPYWJOKHYBVKJH-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.91
Rot. Bonds2

About 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione

7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione (PubChem CID 26681014) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione
PubChem CID26681014
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C19H17N3O3/c1-2-21-16-8-7-13(11-14(16)20-17(23)19(21)25)18(24)22-10-9-12-5-3-4-6-15(12)22/h3-8,11H,2,9-10H2,1H3,(H,20,23)
InChIKeyNPYWJOKHYBVKJH-UHFFFAOYSA-N
XLogP1.91
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 51339858
2-[(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-methylamino]acetic acid
CID 119346233
7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 31921305
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110766380
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
4-ethyl-7-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-quinoxaline-2,3-dione;hydrochloride
CID 120997842
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
4-ethyl-7-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinoxaline-2,3-dione
CID 38072730
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119447949
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
1-ethyl-N-(1H-indol-2-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 167771108

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione (CID 26681014) is 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione is CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc21.
What is the InChIKey of 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione?
The InChIKey is NPYWJOKHYBVKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-21-16-8-7-13(11-14(16)20-17(23)19(21)25)18(24)22-10-9-12-5-3-4-6-15(12)22/h3-8,11H,2,9-10H2,1H3,(H,20,23).
What are the key properties of 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione?
7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione has a molecular weight of 335.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 26681014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).