N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide

C14H16F3N3O3 — CID 37202880

IUPACN'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C14H16F3N3O3/c1-9(21)18-19-13(22)8-20-6-2-3-10-7-11(4-5-12(10)20)23-14(15,16)17/h4-5,7H,2-3,6,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyCARNQTLWUMRHQC-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.51
Rot. Bonds3

About N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide

N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide (PubChem CID 37202880) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide
PubChem CID37202880
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C14H16F3N3O3/c1-9(21)18-19-13(22)8-20-6-2-3-10-7-11(4-5-12(10)20)23-14(15,16)17/h4-5,7H,2-3,6,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyCARNQTLWUMRHQC-UHFFFAOYSA-N
XLogP1.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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 N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide (CID 37202880) is N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide is CC(=O)NNC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide?
The InChIKey is CARNQTLWUMRHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-9(21)18-19-13(22)8-20-6-2-3-10-7-11(4-5-12(10)20)23-14(15,16)17/h4-5,7H,2-3,6,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide?
N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide has a molecular weight of 331.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide is sourced from PubChem (CID 37202880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).