(3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride

C13H18ClN3 — CID 43866124

IUPAC(3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride
SMILESCCc1cc2c(C)ccc(C)c2nc1NN.Cl
InChIInChI=1S/C13H17N3.ClH/c1-4-10-7-11-8(2)5-6-9(3)12(11)15-13(10)16-14;/h5-7H,4,14H2,1-3H3,(H,15,16);1H
InChIKeyGBMRXJWZZJWUEJ-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.12
Rot. Bonds2

About (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride

(3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride (PubChem CID 43866124) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride.

Molecular Properties

Compound Name(3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride
PubChem CID43866124
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name(3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride
SMILESCCc1cc2c(C)ccc(C)c2nc1NN.Cl
InChIInChI=1S/C13H17N3.ClH/c1-4-10-7-11-8(2)5-6-9(3)12(11)15-13(10)16-14;/h5-7H,4,14H2,1-3H3,(H,15,16);1H
InChIKeyGBMRXJWZZJWUEJ-UHFFFAOYSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.12
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 (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride?
The IUPAC name of (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride (CID 43866124) is (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride.
What is the SMILES notation for (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride?
The canonical SMILES for (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride is CCc1cc2c(C)ccc(C)c2nc1NN.Cl.
What is the InChIKey of (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride?
The InChIKey is GBMRXJWZZJWUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-4-10-7-11-8(2)5-6-9(3)12(11)15-13(10)16-14;/h5-7H,4,14H2,1-3H3,(H,15,16);1H.
What are the key properties of (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride?
(3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5,8-dimethylquinolin-2-yl)hydrazine;hydrochloride is sourced from PubChem (CID 43866124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).