N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide

C21H20N4O2 — CID 166413609

IUPACN-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1
InChIInChI=1S/C21H20N4O2/c1-5-20(26)25(4)17-9-6-15(7-10-17)21(27)24-16-8-11-18-19(12-16)23-14(3)13(2)22-18/h5-12H,1H2,2-4H3,(H,24,27)
InChIKeyZEBQAXTVGRFHJL-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.65
Rot. Bonds4

About N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide

N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 166413609) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID166413609
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1
InChIInChI=1S/C21H20N4O2/c1-5-20(26)25(4)17-9-6-15(7-10-17)21(27)24-16-8-11-18-19(12-16)23-14(3)13(2)22-18/h5-12H,1H2,2-4H3,(H,24,27)
InChIKeyZEBQAXTVGRFHJL-UHFFFAOYSA-N
XLogP3.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965
4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 166413633
N-(3-cyano-4-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167804046
N-[4-(3-amino-3-oxopropyl)phenyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413861
3-chloro-5-[[4-[methyl(prop-2-enoyl)amino]benzoyl]amino]benzamide
CID 166414265
4-[methyl(prop-2-enoyl)amino]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
CID 166413864
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413998
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110407085
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46563844
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885626
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide (CID 166413609) is N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is ZEBQAXTVGRFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-5-20(26)25(4)17-9-6-15(7-10-17)21(27)24-16-8-11-18-19(12-16)23-14(3)13(2)22-18/h5-12H,1H2,2-4H3,(H,24,27).
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 360.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 166413609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).