2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide

C20H18BrN3O2 — CID 26890699

IUPAC2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C20H18BrN3O2/c1-12(2)19(25)23-24-20(26)16-11-18(13-6-5-7-14(21)10-13)22-17-9-4-3-8-15(16)17/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyUSDROVFSLUGCGK-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.08
Rot. Bonds3

About 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide

2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide (PubChem CID 26890699) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
PubChem CID26890699
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C20H18BrN3O2/c1-12(2)19(25)23-24-20(26)16-11-18(13-6-5-7-14(21)10-13)22-17-9-4-3-8-15(16)17/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyUSDROVFSLUGCGK-UHFFFAOYSA-N
XLogP4.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
2-(3-bromophenyl)-N-(2,3,4,5,6-pentafluorophenyl)quinoline-4-carboxamide
CID 3535880
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2391509
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
2-(3-bromophenyl)-N-[(4-hydroxyphenyl)-methylcarbamothioyl]quinoline-4-carboxamide
CID 5213202
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
CID 5102914
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide (CID 26890699) is 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide is CC(C)C(=O)NNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide?
The InChIKey is USDROVFSLUGCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c1-12(2)19(25)23-24-20(26)16-11-18(13-6-5-7-14(21)10-13)22-17-9-4-3-8-15(16)17/h3-12H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide?
2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide has a molecular weight of 412.29 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 26890699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).