(3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine

C12H14FN3 — CID 79046825

IUPAC(3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine
SMILESCCc1cc2c(C)cc(F)cc2nc1NN
InChIInChI=1S/C12H14FN3/c1-3-8-5-10-7(2)4-9(13)6-11(10)15-12(8)16-14/h4-6H,3,14H2,1-2H3,(H,15,16)
InChIKeyBBCHSVYSHXDSOY-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.53
Rot. Bonds2

About (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine

(3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine (PubChem CID 79046825) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine
PubChem CID79046825
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine
SMILESCCc1cc2c(C)cc(F)cc2nc1NN
InChIInChI=1S/C12H14FN3/c1-3-8-5-10-7(2)4-9(13)6-11(10)15-12(8)16-14/h4-6H,3,14H2,1-2H3,(H,15,16)
InChIKeyBBCHSVYSHXDSOY-UHFFFAOYSA-N
XLogP2.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.53
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-7-fluoro-5-methylquinolin-2-yl)hydrazine?
The IUPAC name of (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine (CID 79046825) is (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine.
What is the SMILES notation for (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine?
The canonical SMILES for (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine is CCc1cc2c(C)cc(F)cc2nc1NN.
What is the InChIKey of (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine?
The InChIKey is BBCHSVYSHXDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-8-5-10-7(2)4-9(13)6-11(10)15-12(8)16-14/h4-6H,3,14H2,1-2H3,(H,15,16).
What are the key properties of (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine?
(3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine has a molecular weight of 219.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-7-fluoro-5-methylquinolin-2-yl)hydrazine is sourced from PubChem (CID 79046825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).