N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide

C17H13BrN4O2 — CID 9456802

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide
SMILESO=C(CNC(=O)c1cnc2ccccc2n1)Nc1ccccc1Br
InChIInChI=1S/C17H13BrN4O2/c18-11-5-1-2-6-12(11)22-16(23)10-20-17(24)15-9-19-13-7-3-4-8-14(13)21-15/h1-9H,10H2,(H,20,24)(H,22,23)
InChIKeyJDQMIEKXHDNPDH-UHFFFAOYSA-N
MW385.22 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide (PubChem CID 9456802) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide
PubChem CID9456802
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide
SMILESO=C(CNC(=O)c1cnc2ccccc2n1)Nc1ccccc1Br
InChIInChI=1S/C17H13BrN4O2/c18-11-5-1-2-6-12(11)22-16(23)10-20-17(24)15-9-19-13-7-3-4-8-14(13)21-15/h1-9H,10H2,(H,20,24)(H,22,23)
InChIKeyJDQMIEKXHDNPDH-UHFFFAOYSA-N
XLogP2.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)quinoxaline-2-carboxamide
CID 17429565
N-(2-bromophenyl)-2-quinoxalin-2-yloxyacetamide
CID 2096177
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
N-[2-(2-bromoanilino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 26622964
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022
5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9089633
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196541

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide (CID 9456802) is N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide is O=C(CNC(=O)c1cnc2ccccc2n1)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide?
The InChIKey is JDQMIEKXHDNPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c18-11-5-1-2-6-12(11)22-16(23)10-20-17(24)15-9-19-13-7-3-4-8-14(13)21-15/h1-9H,10H2,(H,20,24)(H,22,23).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide has a molecular weight of 385.22 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 9456802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).