[(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine

C16H13ClFN3 — CID 105215398

IUPAC[(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
SMILESNNC(c1cnc2ccccc2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFN3/c17-14-8-12(18)5-6-13(14)16(21-19)11-7-10-3-1-2-4-15(10)20-9-11/h1-9,16,21H,19H2
InChIKeyXQYGSUAMSHARHQ-UHFFFAOYSA-N
MW301.75 g/mol
LogP3.58
Rot. Bonds3

About [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine

[(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine (PubChem CID 105215398) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
PubChem CID105215398
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name[(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
SMILESNNC(c1cnc2ccccc2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFN3/c17-14-8-12(18)5-6-13(14)16(21-19)11-7-10-3-1-2-4-15(10)20-9-11/h1-9,16,21H,19H2
InChIKeyXQYGSUAMSHARHQ-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 53.58
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

[(4-chloro-2-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105217884
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 81268272
[(3-bromo-5-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105238656
5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine
CID 105215434
[pyrimidin-2-yl(quinolin-3-yl)methyl]hydrazine
CID 105203691
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797603
[pyridazin-4-yl(quinolin-3-yl)methyl]hydrazine
CID 105286922
[(4-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105192827
(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
CID 64712789
(2-chlorophenyl)-quinolin-3-ylmethanol
CID 62099090
[(2,4-dichlorophenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288029
(2-chloro-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81220584

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine?
The IUPAC name of [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine (CID 105215398) is [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine?
The canonical SMILES for [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine is NNC(c1cnc2ccccc2c1)c1ccc(F)cc1Cl.
What is the InChIKey of [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine?
The InChIKey is XQYGSUAMSHARHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-14-8-12(18)5-6-13(14)16(21-19)11-7-10-3-1-2-4-15(10)20-9-11/h1-9,16,21H,19H2.
What are the key properties of [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine?
[(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine has a molecular weight of 301.75 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine is sourced from PubChem (CID 105215398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).