[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine

C17H16ClN3 — CID 105327312

IUPAC[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine
SMILESCc1ccc(C(NN)c2ccc3ncccc3c2)cc1Cl
InChIInChI=1S/C17H16ClN3/c1-11-4-5-14(10-15(11)18)17(21-19)13-6-7-16-12(9-13)3-2-8-20-16/h2-10,17,21H,19H2,1H3
InChIKeyLFZGXQMRZJJDLW-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.75
Rot. Bonds3

About [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine

[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine (PubChem CID 105327312) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine
PubChem CID105327312
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine
SMILESCc1ccc(C(NN)c2ccc3ncccc3c2)cc1Cl
InChIInChI=1S/C17H16ClN3/c1-11-4-5-14(10-15(11)18)17(21-19)13-6-7-16-12(9-13)3-2-8-20-16/h2-10,17,21H,19H2,1H3
InChIKeyLFZGXQMRZJJDLW-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.75
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-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105192827
[(3-bromo-2-pyridinyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 107562462
[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327263
[(3-bromophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105198115
[(2,5-dichlorothiophen-3-yl)-quinolin-6-ylmethyl]hydrazine
CID 107970510
[(2-methyl-1,3-thiazol-5-yl)-quinolin-6-ylmethyl]hydrazine
CID 114031832
[(3-bromo-4-methylphenyl)-quinolin-7-ylmethyl]hydrazine
CID 105327512
[(3-bromo-2-chlorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327335
[(3-fluoro-2-pyridinyl)-quinolin-6-ylmethyl]hydrazine
CID 105257952
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051
(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
CID 115827163
[(3-chloro-4-methylphenyl)-(2,6-dichlorophenyl)methyl]hydrazine
CID 107562687

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine (CID 105327312) is [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine is Cc1ccc(C(NN)c2ccc3ncccc3c2)cc1Cl.
What is the InChIKey of [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine?
The InChIKey is LFZGXQMRZJJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11-4-5-14(10-15(11)18)17(21-19)13-6-7-16-12(9-13)3-2-8-20-16/h2-10,17,21H,19H2,1H3.
What are the key properties of [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine?
[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine has a molecular weight of 297.79 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine is sourced from PubChem (CID 105327312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).