N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide

C18H16BrN3O2 — CID 46324332

IUPACN-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1nc2ccccc2n(CCC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C18H16BrN3O2/c1-12-18(24)22(16-9-5-4-8-15(16)20-12)11-10-17(23)21-14-7-3-2-6-13(14)19/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyOTYJRKXTJUUHJU-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.50
Rot. Bonds4

About N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide

N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide (PubChem CID 46324332) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
PubChem CID46324332
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
SMILESCc1nc2ccccc2n(CCC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C18H16BrN3O2/c1-12-18(24)22(16-9-5-4-8-15(16)20-12)11-10-17(23)21-14-7-3-2-6-13(14)19/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyOTYJRKXTJUUHJU-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
2-[1-[3-(2-bromoanilino)-3-oxopropyl]benzimidazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 141483205
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324354
methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 46507840
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 46324456
N-[4-[2-(2-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53097745

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide (CID 46324332) is N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide is Cc1nc2ccccc2n(CCC(=O)Nc2ccccc2Br)c1=O.
What is the InChIKey of N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
The InChIKey is OTYJRKXTJUUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-18(24)22(16-9-5-4-8-15(16)20-12)11-10-17(23)21-14-7-3-2-6-13(14)19/h2-9H,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide?
N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide has a molecular weight of 386.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 46324332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).