N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide

C25H19F3N4O2 — CID 139782331

IUPACN-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1NNC(=O)c1ccccc1
InChIInChI=1S/C25H19F3N4O2/c1-15-14-29-22-18(21(15)31-32-23(33)16-8-3-2-4-9-16)11-7-13-20(22)30-24(34)17-10-5-6-12-19(17)25(26,27)28/h2-14H,1H3,(H,29,31)(H,30,34)(H,32,33)
InChIKeyPLESJEUTUFSNON-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.57
Rot. Bonds5

About N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide

N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 139782331) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID139782331
Molecular FormulaC25H19F3N4O2
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC NameN-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1NNC(=O)c1ccccc1
InChIInChI=1S/C25H19F3N4O2/c1-15-14-29-22-18(21(15)31-32-23(33)16-8-3-2-4-9-16)11-7-13-20(22)30-24(34)17-10-5-6-12-19(17)25(26,27)28/h2-14H,1H3,(H,29,31)(H,30,34)(H,32,33)
InChIKeyPLESJEUTUFSNON-UHFFFAOYSA-N
XLogP5.57
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydrazinyl-3-methylquinolin-8-yl)-2-(trifluoromethyl)benzamide
CID 19592320
N-(4-acetamido-3-methylquinolin-8-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782579
N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67600268
N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782543
N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782614
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 16774965
N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67613982
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide
CID 16551146
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide (CID 139782331) is N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide is Cc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1NNC(=O)c1ccccc1.
What is the InChIKey of N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is PLESJEUTUFSNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c1-15-14-29-22-18(21(15)31-32-23(33)16-8-3-2-4-9-16)11-7-13-20(22)30-24(34)17-10-5-6-12-19(17)25(26,27)28/h2-14H,1H3,(H,29,31)(H,30,34)(H,32,33).
What are the key properties of N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide?
N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 464.45 g/mol, XLogP of 5.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 139782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).