2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide

C21H18F3N3O — CID 143294093

IUPAC2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide
SMILESCc1cc(C2CC2C(F)(F)F)ccc1C(=O)N(N)c1cnc2ccccc2c1
InChIInChI=1S/C21H18F3N3O/c1-12-8-13(17-10-18(17)21(22,23)24)6-7-16(12)20(28)27(25)15-9-14-4-2-3-5-19(14)26-11-15/h2-9,11,17-18H,10,25H2,1H3
InChIKeyAREZOYXVULHYOS-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.73
Rot. Bonds3

About 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide

2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide (PubChem CID 143294093) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide
PubChem CID143294093
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide
SMILESCc1cc(C2CC2C(F)(F)F)ccc1C(=O)N(N)c1cnc2ccccc2c1
InChIInChI=1S/C21H18F3N3O/c1-12-8-13(17-10-18(17)21(22,23)24)6-7-16(12)20(28)27(25)15-9-14-4-2-3-5-19(14)26-11-15/h2-9,11,17-18H,10,25H2,1H3
InChIKeyAREZOYXVULHYOS-UHFFFAOYSA-N
XLogP4.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide?
The IUPAC name of 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide (CID 143294093) is 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide?
The canonical SMILES for 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide is Cc1cc(C2CC2C(F)(F)F)ccc1C(=O)N(N)c1cnc2ccccc2c1.
What is the InChIKey of 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide?
The InChIKey is AREZOYXVULHYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-12-8-13(17-10-18(17)21(22,23)24)6-7-16(12)20(28)27(25)15-9-14-4-2-3-5-19(14)26-11-15/h2-9,11,17-18H,10,25H2,1H3.
What are the key properties of 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide?
2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide has a molecular weight of 385.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinolin-3-yl-4-[2-(trifluoromethyl)cyclopropyl]benzohydrazide is sourced from PubChem (CID 143294093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).