[(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine

C16H13BrClN3 — CID 107997224

IUPAC[(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine
SMILESNNC(c1ccc(Cl)cc1Br)c1cccc2cccnc12
InChIInChI=1S/C16H13BrClN3/c17-14-9-11(18)6-7-12(14)16(21-19)13-5-1-3-10-4-2-8-20-15(10)13/h1-9,16,21H,19H2
InChIKeyOOROKJQTHIGIPT-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.20
Rot. Bonds3

About [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine

[(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine (PubChem CID 107997224) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine
PubChem CID107997224
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name[(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine
SMILESNNC(c1ccc(Cl)cc1Br)c1cccc2cccnc12
InChIInChI=1S/C16H13BrClN3/c17-14-9-11(18)6-7-12(14)16(21-19)13-5-1-3-10-4-2-8-20-15(10)13/h1-9,16,21H,19H2
InChIKeyOOROKJQTHIGIPT-UHFFFAOYSA-N
XLogP4.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3,5-dibromophenyl)-quinolin-8-ylmethyl]hydrazine
CID 107979324
[(2,4-dimethylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105304674
[(2-bromo-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107997016
(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
CID 81215844
[(2,6-dimethyl-3-pyridinyl)-quinolin-8-ylmethyl]hydrazine
CID 105327389
[(4-fluoro-2-methylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105256590
[(2-bromo-4-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 114025665
[(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methyl]hydrazine
CID 107996581
[(3-methylphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105200639
1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 107994637
[(4-fluorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 105192623
[(3-methyl-4-pyridinyl)-quinolin-8-ylmethyl]hydrazine
CID 105261759

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine?
The IUPAC name of [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine (CID 107997224) is [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine.
What is the SMILES notation for [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine?
The canonical SMILES for [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine is NNC(c1ccc(Cl)cc1Br)c1cccc2cccnc12.
What is the InChIKey of [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine?
The InChIKey is OOROKJQTHIGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c17-14-9-11(18)6-7-12(14)16(21-19)13-5-1-3-10-4-2-8-20-15(10)13/h1-9,16,21H,19H2.
What are the key properties of [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine?
[(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine has a molecular weight of 362.66 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine is sourced from PubChem (CID 107997224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).