7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide

C11H9BrClN3O — CID 155362959

IUPAC7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide
SMILESCN(N)C(=O)c1cc2ccc(Br)cc2nc1Cl
InChIInChI=1S/C11H9BrClN3O/c1-16(14)11(17)8-4-6-2-3-7(12)5-9(6)15-10(8)13/h2-5H,14H2,1H3
InChIKeyAYBCWKZYXQWJQO-UHFFFAOYSA-N
MW314.57 g/mol
LogP2.60
Rot. Bonds1

About 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide

7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide (PubChem CID 155362959) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide.

Molecular Properties

Compound Name7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide
PubChem CID155362959
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide
SMILESCN(N)C(=O)c1cc2ccc(Br)cc2nc1Cl
InChIInChI=1S/C11H9BrClN3O/c1-16(14)11(17)8-4-6-2-3-7(12)5-9(6)15-10(8)13/h2-5H,14H2,1H3
InChIKeyAYBCWKZYXQWJQO-UHFFFAOYSA-N
XLogP2.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

N-[2-(7-bromo-2-chloroquinolin-3-yl)ethyl]-2-formyl-N-methylbenzamide;ethane
CID 155732148
1-(7-bromoquinolin-2-yl)-1-methylhydrazine
CID 170386963
2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
6-bromoacridine-4-carboxamide
CID 174344835
7-bromo-2-chloroquinoline;2-methylpropan-2-amine
CID 135311981
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
7-bromo-3-methylquinolin-2-amine
CID 17039635
N-(6-bromo-2-chloroquinazolin-4-yl)acetamide
CID 133061494
ethyl 3-(7-bromo-3-chloroquinoxalin-2-yl)propanoate
CID 175048880
7-bromo-3-ethylquinolin-2-amine;hydrochloride
CID 43866055
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
7-bromo-3-methylquinolin-2-amine;hydrochloride
CID 43865982

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide?
The IUPAC name of 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide (CID 155362959) is 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide.
What is the SMILES notation for 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide?
The canonical SMILES for 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide is CN(N)C(=O)c1cc2ccc(Br)cc2nc1Cl.
What is the InChIKey of 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide?
The InChIKey is AYBCWKZYXQWJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-16(14)11(17)8-4-6-2-3-7(12)5-9(6)15-10(8)13/h2-5H,14H2,1H3.
What are the key properties of 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide?
7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide has a molecular weight of 314.57 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-N-methylquinoline-3-carbohydrazide is sourced from PubChem (CID 155362959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).