3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide

C20H20N4O3 — CID 50815635

IUPAC3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESC=CCn1c(=O)c(=O)n(CCC(=O)NCc2cccnc2)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-2-11-23-16-7-3-4-8-17(16)24(20(27)19(23)26)12-9-18(25)22-14-15-6-5-10-21-13-15/h2-8,10,13H,1,9,11-12,14H2,(H,22,25)
InChIKeyKBLRDOBYPQSZHR-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.45
Rot. Bonds7

About 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide

3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 50815635) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID50815635
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESC=CCn1c(=O)c(=O)n(CCC(=O)NCc2cccnc2)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-2-11-23-16-7-3-4-8-17(16)24(20(27)19(23)26)12-9-18(25)22-14-15-6-5-10-21-13-15/h2-8,10,13H,1,9,11-12,14H2,(H,22,25)
InChIKeyKBLRDOBYPQSZHR-UHFFFAOYSA-N
XLogP1.45
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 50815573
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 53022880
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 50815536
4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 20892895
2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 50802505
2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 50802468
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959003
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815571

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 50815635) is 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide is C=CCn1c(=O)c(=O)n(CCC(=O)NCc2cccnc2)c2ccccc21.
What is the InChIKey of 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is KBLRDOBYPQSZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-11-23-16-7-3-4-8-17(16)24(20(27)19(23)26)12-9-18(25)22-14-15-6-5-10-21-13-15/h2-8,10,13H,1,9,11-12,14H2,(H,22,25).
What are the key properties of 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 364.41 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 50815635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).