N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide

C19H16BrN3O — CID 78775982

IUPACN-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(NC(=O)C=Cc1cnc2ccccc2n1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O/c1-13(14-6-8-15(20)9-7-14)22-19(24)11-10-16-12-21-17-4-2-3-5-18(17)23-16/h2-13H,1H3,(H,22,24)
InChIKeyAUCLVKFEMKKELM-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide

N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 78775982) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID78775982
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(NC(=O)C=Cc1cnc2ccccc2n1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O/c1-13(14-6-8-15(20)9-7-14)22-19(24)11-10-16-12-21-17-4-2-3-5-18(17)23-16/h2-13H,1H3,(H,22,24)
InChIKeyAUCLVKFEMKKELM-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78773460
(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78813722
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-[1-(1-adamantyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 6211917
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884420
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide (CID 78775982) is N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide is CC(NC(=O)C=Cc1cnc2ccccc2n1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is AUCLVKFEMKKELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13(14-6-8-15(20)9-7-14)22-19(24)11-10-16-12-21-17-4-2-3-5-18(17)23-16/h2-13H,1H3,(H,22,24).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 382.26 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 78775982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).