2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile

C21H15N5O3 — CID 6488602

IUPAC2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccnc2)n(CC(=O)N2CC(=O)Nc3ccccc32)c1=O
InChIInChI=1S/C21H15N5O3/c22-10-14-7-8-17(15-4-3-9-23-11-15)26(21(14)29)13-20(28)25-12-19(27)24-16-5-1-2-6-18(16)25/h1-9,11H,12-13H2,(H,24,27)
InChIKeyJUQGGJXNAVSPSQ-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.77
Rot. Bonds3

About 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile

2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 6488602) has the molecular formula C21H15N5O3 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID6488602
Molecular FormulaC21H15N5O3
Molecular Weight385.38 g/mol
Exact Mass385.12
IUPAC Name2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccnc2)n(CC(=O)N2CC(=O)Nc3ccccc32)c1=O
InChIInChI=1S/C21H15N5O3/c22-10-14-7-8-17(15-4-3-9-23-11-15)26(21(14)29)13-20(28)25-12-19(27)24-16-5-1-2-6-18(16)25/h1-9,11H,12-13H2,(H,24,27)
InChIKeyJUQGGJXNAVSPSQ-UHFFFAOYSA-N
XLogP1.77
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile with MolForge

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Related Compounds

2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 2706735
4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8916961
3-oxo-N-pyridin-3-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 170568767
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8898891
4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 7774495
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
4-[2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 46980921
4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 92612938
4-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 7722996
6-ethyl-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylquinoline-3-carbonitrile
CID 3207576

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile (CID 6488602) is 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile is N#Cc1ccc(-c2cccnc2)n(CC(=O)N2CC(=O)Nc3ccccc32)c1=O.
What is the InChIKey of 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is JUQGGJXNAVSPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3/c22-10-14-7-8-17(15-4-3-9-23-11-15)26(21(14)29)13-20(28)25-12-19(27)24-16-5-1-2-6-18(16)25/h1-9,11H,12-13H2,(H,24,27).
What are the key properties of 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile?
2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 385.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-6-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 6488602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).