[6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine

C16H14ClN3O — CID 63483697

IUPAC[6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine
SMILESCc1cc(NN)c2cc(Oc3ccccc3Cl)ccc2n1
InChIInChI=1S/C16H14ClN3O/c1-10-8-15(20-18)12-9-11(6-7-14(12)19-10)21-16-5-3-2-4-13(16)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyRNUQZIJFCILMSS-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.27
Rot. Bonds3

About [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine

[6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine (PubChem CID 63483697) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine
PubChem CID63483697
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name[6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine
SMILESCc1cc(NN)c2cc(Oc3ccccc3Cl)ccc2n1
InChIInChI=1S/C16H14ClN3O/c1-10-8-15(20-18)12-9-11(6-7-14(12)19-10)21-16-5-3-2-4-13(16)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyRNUQZIJFCILMSS-UHFFFAOYSA-N
XLogP4.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine?
The IUPAC name of [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine (CID 63483697) is [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine?
The canonical SMILES for [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine is Cc1cc(NN)c2cc(Oc3ccccc3Cl)ccc2n1.
What is the InChIKey of [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine?
The InChIKey is RNUQZIJFCILMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-8-15(20-18)12-9-11(6-7-14(12)19-10)21-16-5-3-2-4-13(16)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine?
[6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine has a molecular weight of 299.76 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine is sourced from PubChem (CID 63483697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).