2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide

C25H21BrN4O3 — CID 170903132

IUPAC2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1
InChIInChI=1S/C25H21BrN4O3/c1-33-19-12-10-18(11-13-19)28-24(31)15-27-30-25(32)21-14-23(16-6-8-17(26)9-7-16)29-22-5-3-2-4-20(21)22/h2-14,27H,15H2,1H3,(H,28,31)(H,30,32)
InChIKeyMXIWKYXLRJGDDF-UHFFFAOYSA-N
MW505.37 g/mol
LogP4.55
Rot. Bonds7

About 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide

2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 170903132) has the molecular formula C25H21BrN4O3 and a molecular weight of 505.37 g/mol. Its IUPAC name is 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
PubChem CID170903132
Molecular FormulaC25H21BrN4O3
Molecular Weight505.37 g/mol
Exact Mass504.08
IUPAC Name2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1
InChIInChI=1S/C25H21BrN4O3/c1-33-19-12-10-18(11-13-19)28-24(31)15-27-30-25(32)21-14-23(16-6-8-17(26)9-7-16)29-22-5-3-2-4-20(21)22/h2-14,27H,15H2,1H3,(H,28,31)(H,30,32)
InChIKeyMXIWKYXLRJGDDF-UHFFFAOYSA-N
XLogP4.55
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.37
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)quinolin-4-yl]oxyacetamide
CID 46298628
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17258500
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide (CID 170903132) is 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is MXIWKYXLRJGDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN4O3/c1-33-19-12-10-18(11-13-19)28-24(31)15-27-30-25(32)21-14-23(16-6-8-17(26)9-7-16)29-22-5-3-2-4-20(21)22/h2-14,27H,15H2,1H3,(H,28,31)(H,30,32).
What are the key properties of 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide?
2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 505.37 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 170903132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).