[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine

C12H13F2N3O — CID 62890904

IUPAC[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine
SMILESCOc1ccc(C)c2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C12H13F2N3O/c1-6-3-4-9(18-2)11-10(6)7(17-15)5-8(16-11)12(13)14/h3-5,12H,15H2,1-2H3,(H,16,17)
InChIKeyDMBKJPSUJPOHMR-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.78
Rot. Bonds3

About [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine

[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine (PubChem CID 62890904) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine
PubChem CID62890904
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine
SMILESCOc1ccc(C)c2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C12H13F2N3O/c1-6-3-4-9(18-2)11-10(6)7(17-15)5-8(16-11)12(13)14/h3-5,12H,15H2,1-2H3,(H,16,17)
InChIKeyDMBKJPSUJPOHMR-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine
CID 62892113
[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine
CID 62891261
2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine
CID 62890532
(8-methoxy-2,5-dimethylquinolin-4-yl)hydrazine
CID 62252641
(5,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 55050910
[2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine
CID 62892643
N-ethyl-8-methoxy-5-methyl-2-propan-2-ylquinolin-4-amine
CID 55194431
[5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62251152
[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine
CID 107629088
(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250401
(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250056
(5-methoxy-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hydrazine
CID 62252640

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine?
The IUPAC name of [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine (CID 62890904) is [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine.
What is the SMILES notation for [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine?
The canonical SMILES for [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine is COc1ccc(C)c2c(NN)cc(C(F)F)nc12.
What is the InChIKey of [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine?
The InChIKey is DMBKJPSUJPOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-6-3-4-9(18-2)11-10(6)7(17-15)5-8(16-11)12(13)14/h3-5,12H,15H2,1-2H3,(H,16,17).
What are the key properties of [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine?
[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine has a molecular weight of 253.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine is sourced from PubChem (CID 62890904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).