(3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine

C12H13F2N3 — CID 62250946

IUPAC(3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine
SMILESCCc1c(C)nc2cc(F)cc(F)c2c1NN
InChIInChI=1S/C12H13F2N3/c1-3-8-6(2)16-10-5-7(13)4-9(14)11(10)12(8)17-15/h4-5H,3,15H2,1-2H3,(H,16,17)
InChIKeyMNNSGSTZVQJWIU-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.67
Rot. Bonds2

About (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine

(3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine (PubChem CID 62250946) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine
PubChem CID62250946
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name(3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine
SMILESCCc1c(C)nc2cc(F)cc(F)c2c1NN
InChIInChI=1S/C12H13F2N3/c1-3-8-6(2)16-10-5-7(13)4-9(14)11(10)12(8)17-15/h4-5H,3,15H2,1-2H3,(H,16,17)
InChIKeyMNNSGSTZVQJWIU-UHFFFAOYSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.67
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-5,7-difluoro-2-methylquinolin-4-yl)hydrazine?
The IUPAC name of (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine (CID 62250946) is (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine.
What is the SMILES notation for (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine?
The canonical SMILES for (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine is CCc1c(C)nc2cc(F)cc(F)c2c1NN.
What is the InChIKey of (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine?
The InChIKey is MNNSGSTZVQJWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-3-8-6(2)16-10-5-7(13)4-9(14)11(10)12(8)17-15/h4-5H,3,15H2,1-2H3,(H,16,17).
What are the key properties of (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine?
(3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine has a molecular weight of 237.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62250946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).