2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide

C21H21BrN4O4 — CID 41156605

IUPAC2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccccc3Br)cc21
InChIInChI=1S/C21H21BrN4O4/c1-24-17-11-15(23-19(27)13-5-3-4-6-14(13)22)16(26-7-9-30-10-8-26)12-18(17)25(2)21(29)20(24)28/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)
InChIKeyURYPKGSSRPUQME-UHFFFAOYSA-N
MW473.33 g/mol
LogP2.09
Rot. Bonds3

About 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide

2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide (PubChem CID 41156605) has the molecular formula C21H21BrN4O4 and a molecular weight of 473.33 g/mol. Its IUPAC name is 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
PubChem CID41156605
Molecular FormulaC21H21BrN4O4
Molecular Weight473.33 g/mol
Exact Mass472.07
IUPAC Name2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccccc3Br)cc21
InChIInChI=1S/C21H21BrN4O4/c1-24-17-11-15(23-19(27)13-5-3-4-6-14(13)22)16(26-7-9-30-10-8-26)12-18(17)25(2)21(29)20(24)28/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)
InChIKeyURYPKGSSRPUQME-UHFFFAOYSA-N
XLogP2.09
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
ethyl 1-[6-[(2-bromobenzoyl)amino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 24789848
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 50792225
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 50832787
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide?
The IUPAC name of 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide (CID 41156605) is 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide is Cn1c(=O)c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccccc3Br)cc21.
What is the InChIKey of 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide?
The InChIKey is URYPKGSSRPUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O4/c1-24-17-11-15(23-19(27)13-5-3-4-6-14(13)22)16(26-7-9-30-10-8-26)12-18(17)25(2)21(29)20(24)28/h3-6,11-12H,7-10H2,1-2H3,(H,23,27).
What are the key properties of 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide?
2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide has a molecular weight of 473.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide is sourced from PubChem (CID 41156605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).