N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide

C15H10BrN3O2S — CID 4787478

IUPACN'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1ccc2ccccc2n1
InChIInChI=1S/C15H10BrN3O2S/c16-13-8-7-12(22-13)15(21)19-18-14(20)11-6-5-9-3-1-2-4-10(9)17-11/h1-8H,(H,18,20)(H,19,21)
InChIKeyFRBSJHNFMSXHJT-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.13
Rot. Bonds2

About N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide (PubChem CID 4787478) has the molecular formula C15H10BrN3O2S and a molecular weight of 376.24 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide
PubChem CID4787478
Molecular FormulaC15H10BrN3O2S
Molecular Weight376.24 g/mol
Exact Mass374.97
IUPAC NameN'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1ccc2ccccc2n1
InChIInChI=1S/C15H10BrN3O2S/c16-13-8-7-12(22-13)15(21)19-18-14(20)11-6-5-9-3-1-2-4-10(9)17-11/h1-8H,(H,18,20)(H,19,21)
InChIKeyFRBSJHNFMSXHJT-UHFFFAOYSA-N
XLogP3.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide
CID 35067362
5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide
CID 55857705
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065853
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
N'-(quinoline-2-carbonyl)-1,3-oxazole-4-carbohydrazide
CID 166194916
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide
CID 36575242
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
4-methyl-N'-(quinoline-2-carbonyl)-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 35065301

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide (CID 4787478) is N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide is O=C(NNC(=O)c1ccc(Br)s1)c1ccc2ccccc2n1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide?
The InChIKey is FRBSJHNFMSXHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2S/c16-13-8-7-12(22-13)15(21)19-18-14(20)11-6-5-9-3-1-2-4-10(9)17-11/h1-8H,(H,18,20)(H,19,21).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide has a molecular weight of 376.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 4787478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).