6-bromo-2-methylquinoline-4-carbohydrazide

C11H10BrN3O — CID 694035

IUPAC6-bromo-2-methylquinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NN)c2cc(Br)ccc2n1
InChIInChI=1S/C11H10BrN3O/c1-6-4-9(11(16)15-13)8-5-7(12)2-3-10(8)14-6/h2-5H,13H2,1H3,(H,15,16)
InChIKeyLEBFGWOGYMQWIX-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.91
Rot. Bonds1

About 6-bromo-2-methylquinoline-4-carbohydrazide

6-bromo-2-methylquinoline-4-carbohydrazide (PubChem CID 694035) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-bromo-2-methylquinoline-4-carbohydrazide.

Molecular Properties

Compound Name6-bromo-2-methylquinoline-4-carbohydrazide
PubChem CID694035
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name6-bromo-2-methylquinoline-4-carbohydrazide
SMILESCc1cc(C(=O)NN)c2cc(Br)ccc2n1
InChIInChI=1S/C11H10BrN3O/c1-6-4-9(11(16)15-13)8-5-7(12)2-3-10(8)14-6/h2-5H,13H2,1H3,(H,15,16)
InChIKeyLEBFGWOGYMQWIX-UHFFFAOYSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Aminophenyl)-6-bromoquinoline-4-carbohydrazide
CID 1379186
Quinoline-2-carbohydrazide
CID 246466
2-Methylquinoline-4-carboxamide
CID 85122
6-Bromo-2-phenylquinoline-4-carboxamide
CID 2803005
1-(6-Bromo-2-methyl-4-phenylquinolin-3-yl)ethanone
CID 679741
2-Phenylquinoline-4-carbohydrazide
CID 72488
6-Bromo-2-cyclopropylquinoline-4-carbohydrazide
CID 779890
US10189788, Example 48
CID 118948515
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(6-bromo-2-cyclopropylquinolin-4-yl)methanone
CID 4180831
7-bromo-N-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 5151092
4-(2-Methylcyclohexyl)quinoline-2-carbohydrazide
CID 118731597
N-(4-bromophenyl)-2-methylquinoline-4-carboxamide
CID 856097

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylquinoline-4-carbohydrazide?
The IUPAC name of 6-bromo-2-methylquinoline-4-carbohydrazide (CID 694035) is 6-bromo-2-methylquinoline-4-carbohydrazide.
What is the SMILES notation for 6-bromo-2-methylquinoline-4-carbohydrazide?
The canonical SMILES for 6-bromo-2-methylquinoline-4-carbohydrazide is Cc1cc(C(=O)NN)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-methylquinoline-4-carbohydrazide?
The InChIKey is LEBFGWOGYMQWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-6-4-9(11(16)15-13)8-5-7(12)2-3-10(8)14-6/h2-5H,13H2,1H3,(H,15,16).
What are the key properties of 6-bromo-2-methylquinoline-4-carbohydrazide?
6-bromo-2-methylquinoline-4-carbohydrazide has a molecular weight of 280.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylquinoline-4-carbohydrazide is sourced from PubChem (CID 694035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).