[2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine

C14H16F3N3O — CID 63483517

IUPAC[2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine
SMILESCc1nc2c(OC(F)(F)F)cccc2c(NN)c1C(C)C
InChIInChI=1S/C14H16F3N3O/c1-7(2)11-8(3)19-12-9(13(11)20-18)5-4-6-10(12)21-14(15,16)17/h4-7H,18H2,1-3H3,(H,19,20)
InChIKeyMOMXHVNSEVHNKX-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.85
Rot. Bonds3

About [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine

[2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine (PubChem CID 63483517) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine
PubChem CID63483517
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name[2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine
SMILESCc1nc2c(OC(F)(F)F)cccc2c(NN)c1C(C)C
InChIInChI=1S/C14H16F3N3O/c1-7(2)11-8(3)19-12-9(13(11)20-18)5-4-6-10(12)21-14(15,16)17/h4-7H,18H2,1-3H3,(H,19,20)
InChIKeyMOMXHVNSEVHNKX-UHFFFAOYSA-N
XLogP3.85
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine?
The IUPAC name of [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine (CID 63483517) is [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine.
What is the SMILES notation for [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine?
The canonical SMILES for [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine is Cc1nc2c(OC(F)(F)F)cccc2c(NN)c1C(C)C.
What is the InChIKey of [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine?
The InChIKey is MOMXHVNSEVHNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-7(2)11-8(3)19-12-9(13(11)20-18)5-4-6-10(12)21-14(15,16)17/h4-7H,18H2,1-3H3,(H,19,20).
What are the key properties of [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine?
[2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine has a molecular weight of 299.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine is sourced from PubChem (CID 63483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).