2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide

C17H12F4N4O — CID 1489619

IUPAC2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide
SMILESCN(NC(=O)c1ccccc1F)c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C17H12F4N4O/c1-25(24-15(26)10-6-2-4-8-12(10)18)14-11-7-3-5-9-13(11)22-16(23-14)17(19,20)21/h2-9H,1H3,(H,24,26)
InChIKeyLTSPIZFHEVXVHI-UHFFFAOYSA-N
MW364.30 g/mol
LogP3.57
Rot. Bonds3

About 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide

2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide (PubChem CID 1489619) has the molecular formula C17H12F4N4O and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide
PubChem CID1489619
Molecular FormulaC17H12F4N4O
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC Name2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide
SMILESCN(NC(=O)c1ccccc1F)c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C17H12F4N4O/c1-25(24-15(26)10-6-2-4-8-12(10)18)14-11-7-3-5-9-13(11)22-16(23-14)17(19,20)21/h2-9H,1H3,(H,24,26)
InChIKeyLTSPIZFHEVXVHI-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide (CID 1489619) is 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide is CN(NC(=O)c1ccccc1F)c1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide?
The InChIKey is LTSPIZFHEVXVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O/c1-25(24-15(26)10-6-2-4-8-12(10)18)14-11-7-3-5-9-13(11)22-16(23-14)17(19,20)21/h2-9H,1H3,(H,24,26).
What are the key properties of 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide?
2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide has a molecular weight of 364.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-methyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]benzohydrazide is sourced from PubChem (CID 1489619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).