N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide

C17H11F3N4O3 — CID 29409127

IUPACN'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2ccccc2n1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)11-6-8-13(15(9-11)24(26)27)22-23-16(25)14-7-5-10-3-1-2-4-12(10)21-14/h1-9,22H,(H,23,25)
InChIKeyLMXVOVOOTZEFMJ-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.92
Rot. Bonds4

About N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide

N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide (PubChem CID 29409127) has the molecular formula C17H11F3N4O3 and a molecular weight of 376.29 g/mol. Its IUPAC name is N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
PubChem CID29409127
Molecular FormulaC17H11F3N4O3
Molecular Weight376.29 g/mol
Exact Mass376.08
IUPAC NameN'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
SMILESO=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2ccccc2n1
InChIInChI=1S/C17H11F3N4O3/c18-17(19,20)11-6-8-13(15(9-11)24(26)27)22-23-16(25)14-7-5-10-3-1-2-4-12(10)21-14/h1-9,22H,(H,23,25)
InChIKeyLMXVOVOOTZEFMJ-UHFFFAOYSA-N
XLogP3.92
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
4-(benzimidazol-1-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409619
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
5-fluoro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 55439102
6-chloro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indole-2-carbohydrazide
CID 55631614
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295

Frequently Asked Questions

What is the IUPAC name of N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide (CID 29409127) is N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide is O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2ccccc2n1.
What is the InChIKey of N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide?
The InChIKey is LMXVOVOOTZEFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3/c18-17(19,20)11-6-8-13(15(9-11)24(26)27)22-23-16(25)14-7-5-10-3-1-2-4-12(10)21-14/h1-9,22H,(H,23,25).
What are the key properties of N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide?
N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide has a molecular weight of 376.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 29409127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).