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

C19H17ClF3N3O3 — CID 37203095

IUPAC2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCCc2cc(OC(F)(F)F)ccc21)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H17ClF3N3O3/c20-15-6-2-1-5-14(15)18(28)25-24-17(27)11-26-9-3-4-12-10-13(7-8-16(12)26)29-19(21,22)23/h1-2,5-8,10H,3-4,9,11H2,(H,24,27)(H,25,28)
InChIKeyKFFFXRBBUJURMS-UHFFFAOYSA-N
MW427.81 g/mol
LogP3.45
Rot. Bonds4

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

2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide (PubChem CID 37203095) has the molecular formula C19H17ClF3N3O3 and a molecular weight of 427.81 g/mol. Its IUPAC name is 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide
PubChem CID37203095
Molecular FormulaC19H17ClF3N3O3
Molecular Weight427.81 g/mol
Exact Mass427.09
IUPAC Name2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCCc2cc(OC(F)(F)F)ccc21)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H17ClF3N3O3/c20-15-6-2-1-5-14(15)18(28)25-24-17(27)11-26-9-3-4-12-10-13(7-8-16(12)26)29-19(21,22)23/h1-2,5-8,10H,3-4,9,11H2,(H,24,27)(H,25,28)
InChIKeyKFFFXRBBUJURMS-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 53.45
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 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide (CID 37203095) is 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide is O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide?
The InChIKey is KFFFXRBBUJURMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O3/c20-15-6-2-1-5-14(15)18(28)25-24-17(27)11-26-9-3-4-12-10-13(7-8-16(12)26)29-19(21,22)23/h1-2,5-8,10H,3-4,9,11H2,(H,24,27)(H,25,28).
What are the key properties of 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide?
2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide has a molecular weight of 427.81 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 37203095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).