[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C13H14F3N3O2 — CID 63744262

IUPAC[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCOc1cc2nc(C(F)(F)F)c(C)c(NN)c2cc1OC
InChIInChI=1S/C13H14F3N3O2/c1-6-11(19-17)7-4-9(20-2)10(21-3)5-8(7)18-12(6)13(14,15)16/h4-5H,17H2,1-3H3,(H,18,19)
InChIKeyRCYRYWVNDGZFSG-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.86
Rot. Bonds3

About [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 63744262) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID63744262
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCOc1cc2nc(C(F)(F)F)c(C)c(NN)c2cc1OC
InChIInChI=1S/C13H14F3N3O2/c1-6-11(19-17)7-4-9(20-2)10(21-3)5-8(7)18-12(6)13(14,15)16/h4-5H,17H2,1-3H3,(H,18,19)
InChIKeyRCYRYWVNDGZFSG-UHFFFAOYSA-N
XLogP2.86
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 63744262) is [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is COc1cc2nc(C(F)(F)F)c(C)c(NN)c2cc1OC.
What is the InChIKey of [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is RCYRYWVNDGZFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-6-11(19-17)7-4-9(20-2)10(21-3)5-8(7)18-12(6)13(14,15)16/h4-5H,17H2,1-3H3,(H,18,19).
What are the key properties of [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 301.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 63744262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).