(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine

C13H16ClN3 — CID 107629269

IUPAC(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine
SMILESCc1ccc(Cl)c2nc(NN)c(C(C)C)cc12
InChIInChI=1S/C13H16ClN3/c1-7(2)9-6-10-8(3)4-5-11(14)12(10)16-13(9)17-15/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyIADDXNMEOYHAHG-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.61
Rot. Bonds2

About (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine

(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine (PubChem CID 107629269) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine
PubChem CID107629269
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine
SMILESCc1ccc(Cl)c2nc(NN)c(C(C)C)cc12
InChIInChI=1S/C13H16ClN3/c1-7(2)9-6-10-8(3)4-5-11(14)12(10)16-13(9)17-15/h4-7H,15H2,1-3H3,(H,16,17)
InChIKeyIADDXNMEOYHAHG-UHFFFAOYSA-N
XLogP3.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine?
The IUPAC name of (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine (CID 107629269) is (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine.
What is the SMILES notation for (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine?
The canonical SMILES for (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine is Cc1ccc(Cl)c2nc(NN)c(C(C)C)cc12.
What is the InChIKey of (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine?
The InChIKey is IADDXNMEOYHAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-7(2)9-6-10-8(3)4-5-11(14)12(10)16-13(9)17-15/h4-7H,15H2,1-3H3,(H,16,17).
What are the key properties of (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine?
(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine has a molecular weight of 249.74 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine is sourced from PubChem (CID 107629269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).