(2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine

C12H13F2N3 — CID 63554093

IUPAC(2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine
SMILESCCc1nc2c(F)c(F)ccc2c(NN)c1C
InChIInChI=1S/C12H13F2N3/c1-3-9-6(2)11(17-15)7-4-5-8(13)10(14)12(7)16-9/h4-5H,3,15H2,1-2H3,(H,16,17)
InChIKeyXBBUHBKMIPSEFN-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.67
Rot. Bonds2

About (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine

(2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine (PubChem CID 63554093) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine
PubChem CID63554093
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name(2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine
SMILESCCc1nc2c(F)c(F)ccc2c(NN)c1C
InChIInChI=1S/C12H13F2N3/c1-3-9-6(2)11(17-15)7-4-5-8(13)10(14)12(7)16-9/h4-5H,3,15H2,1-2H3,(H,16,17)
InChIKeyXBBUHBKMIPSEFN-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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Related Compounds

N,2-diethyl-7,8-difluoro-3-methylquinolin-4-amine
CID 63553899
(7,8-dichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63554990
(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
CID 103996238
(7,8-difluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
CID 62915501
(8-ethoxy-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63553723
N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine
CID 62197895
2-ethyl-7-fluoro-3,8-dimethylquinolin-4-amine
CID 63554268
(5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63553722
(5,8-diethoxy-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63555862
2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 63562434
2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine
CID 55221787
(2-ethyl-7-fluoro-8-methylquinolin-4-yl)hydrazine
CID 62251907

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine?
The IUPAC name of (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine (CID 63554093) is (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine.
What is the SMILES notation for (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine?
The canonical SMILES for (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine is CCc1nc2c(F)c(F)ccc2c(NN)c1C.
What is the InChIKey of (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine?
The InChIKey is XBBUHBKMIPSEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-3-9-6(2)11(17-15)7-4-5-8(13)10(14)12(7)16-9/h4-5H,3,15H2,1-2H3,(H,16,17).
What are the key properties of (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine?
(2-ethyl-7,8-difluoro-3-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 (2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine is sourced from PubChem (CID 63554093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).