N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C24H20BrN3O4 — CID 34316429

IUPACN-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCOc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H20BrN3O4/c1-32-21-9-5-2-6-17(21)24(31)28-19-8-4-3-7-18(19)27-23(30)20(28)14-22(29)26-16-12-10-15(25)11-13-16/h2-13,20H,14H2,1H3,(H,26,29)(H,27,30)/t20-/m1/s1
InChIKeyIRZRAOWFVWYPCQ-HXUWFJFHSA-N
MW494.35 g/mol
LogP4.45
Rot. Bonds5

About N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 34316429) has the molecular formula C24H20BrN3O4 and a molecular weight of 494.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID34316429
Molecular FormulaC24H20BrN3O4
Molecular Weight494.35 g/mol
Exact Mass493.06
IUPAC NameN-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCOc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H20BrN3O4/c1-32-21-9-5-2-6-17(21)24(31)28-19-8-4-3-7-18(19)27-23(30)20(28)14-22(29)26-16-12-10-15(25)11-13-16/h2-13,20H,14H2,1H3,(H,26,29)(H,27,30)/t20-/m1/s1
InChIKeyIRZRAOWFVWYPCQ-HXUWFJFHSA-N
XLogP4.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316442
2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316346
2-[1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 45128995
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
N-(4-chlorophenyl)-2-[(2R)-1-[2-(2-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34308001
2-[(2S)-1-(3,4-dimethoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 34310201
N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307056
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
2-[1-[2-(4-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 23793651

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 34316429) is N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is COc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is IRZRAOWFVWYPCQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H20BrN3O4/c1-32-21-9-5-2-6-17(21)24(31)28-19-8-4-3-7-18(19)27-23(30)20(28)14-22(29)26-16-12-10-15(25)11-13-16/h2-13,20H,14H2,1H3,(H,26,29)(H,27,30)/t20-/m1/s1.
What are the key properties of N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 494.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 34316429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).